Rowan calls rapamycin less stable than ANY of the other molecules i’ve compared (and it calls metformin the MOST stable)
This is not ground truth, rowan is not perfect, but it’s an interesting first pass
rank_78F_product,compound,basis,status,desc_workflow,fukui_workflow,DescGEI,FukuiGEI,molecular_formula,MW,SLogP,TopoPSA,nRot,nHBAcc,nHBDon,nAcid,nBase,FlexIdx,MolVol,pKa_or_ionization,storage_78F_product_assessment,confidence,notes
1,Metformin,finished_product,completed,f204780f-c4ff-46fe-a614-9872baa6ad58,0.5260, -1.034,“7.58;13.82;16.26;16.42”,best_keeper,medium,biguanide
2,Caffeine,finished_product,completed,1f01a930-9b7f-4271-9e24-d0277c7c8951,995cbc6a-ca45-4bae-860e-665072d19ecf,1.2042,194.080,-1.029,61.820,0,3,0,0,0,0.302,165.776,very_stable,high,xanthine alkaloid
3,Niacinamide,finished_product,completed,faf18e5c-1ce3-4362-9845-449f86a25c40,9686b904-55c5-41f4-a706-63d5a86886ee,1.3688,122.048,0.181,55.980,1,2,1,0,0,0.271,110.224,very_stable,high,vitamin B3 amide
4,Biotin,finished_product,completed,c56ce0ae-a268-4fff-b9f3-da9fab69685d,fa4b5121-fd57-4efc-b62e-3d83bfa39b1b,0.9115,244.088,0.797,103.730,5,3,3,1,0,0.450,214.856,very_stable,high,vitamin B7
5,Pantothenic acid (B5),finished_product,completed,b95c3947-d2c9-405b-8439-acbf7d32f28b,b9c8a240-f5c5-4ee6-bfd6-90778fc8da6a,0.3396,219.111,-1.043,212.959,6,6,5,1,0,0.324,156.336,very_stable,high,vitamin B5
6,Amphetamine,finished_product,completed,0.8435,1.576,“10.27”,very_stable,medium,phenethylamine
7,Vyvanse (lisdexamfetamine proxy),finished_product,qualitative_only,very_stable,low,placed near amphetamine
8,2C-I,compound_proxy,completed,0.8295,0.7159,very_stable,medium,iodophenethylamine
9,Concerta proxy (protonated methylphenidate),finished_product,completed,69cd59ec-23b2-4977-940e-80cc462ab94c,af2694db-d07f-44ec-b0a4-9432070ea61d,3.3647,234.149,1.059,49.538,3,2,1,0,1,0.394,229.976,very_stable,medium,protonated proxy
10,Methylphenidate,finished_product,completed,6f0234f4-ecaa-4beb-900f-fbf29dfc3dab,bc3caff2-537e-45ce-982f-4d4d9e74481e,0.9623,233.142,2.085,45.706,3,2,1,0,1,0.428,227.856,very_stable,high,piperidine ester stimulant
11,Pyridoxine,finished_product,completed,a7a2f858-734b-47dd-acf7-bd276d8f3899,6df63c20-cf13-4f79-ac83-ff3d43cdd9ed,1.0708,169.074,0.080,73.580,2,4,3,0,0,0.338,153.072,stable,high,vitamin B6
12,Vitamin D3 (cholecalciferol),finished_product,completed,944cde93-538b-41f3-9669-98495ce55b41,58e5cd5a-c818-41c1-bebf-4aa5ddc9eced,1.2212,384.339,7.619,50.697,6,1,1,0,0,0.451,418.952,stable,high,secosteroid
13,Glucosamine,finished_product,completed,f3584e40-44ec-4665-a965-676c37750ed5,c4aab786-f255-40c0-a04e-4efafa3fd5d9,1.7104,179.079,-3.255,201.334,1,3,1,0,1,0.554,154.936,stable,high,amino sugar supplement
14,alpha-Tocopherol,finished_product,completed,0.8231,0.7886,stable,medium,vitamin E chromanol
15,DMT,compound_proxy,completed,0.8919,0.8372,stable,medium,indole amine
16,2C-B,compound_proxy,completed,0.8929,0.8461,stable,medium,bromophenethylamine
17,Bempedoic acid,finished_product,completed,4794869a-6224-45a2-b59a-6f782186fb3f,3cfd41c0-aa62-4fb1-a8b9-fe96c7d6c32f,1.1103,1.1103,344.256,4.470,146.166,14,5,3,2,0,0.584,358.320,stable,high,lipid-lowering prodrug
18,Ezetimibe,finished_product,completed,2f1d2ca8-c426-4929-a41f-c60a5293b65d,0ac51d6c-e2b6-4d29-97ba-b66ec0391f81,1.0549,1.1503,409.149,4.888,38.330,6,3,1,0,0,0.428,227.856,stable,high,sterol absorption inhibitor
19,Empagliflozin,finished_product,completed,d310d69d-c483-442c-b6eb-0bdcddd73f5e,52fd4425-aa81-481b-b9c5-0f1879a9eb5a,1.2145,1.2099,450.145,1.613,108.610,6,7,4,0,0,1.130,392.552,stable,high,SGLT2 inhibitor
20,Rapamycin (sirolimus tablets),finished_product,completed,157f46fc-ea76-42fa-8b57-7dfb355fd8ff,85941a2a-a4d7-4b45-8939-2748a01ccb69,1.8404,913.555,6.181,161.560,6,8,5,0,0,1.916,stable,high,tablets have labeled room-temp storage
21,Aspirin,finished_product,completed,0a1a74c6-e32a-4c35-90a7-66a360577dd6,f32c9642-08b3-4402-9789-010aaad4bc5f,2.2685,180.042,1.310,124.955,2,1,1,1,0,0.610,341.880,stable,high,tablet product but hydrolysis-prone API
22,Folic acid,finished_product,completed,a61553d0-84f9-457d-b548-7a93e049848c,bc79ab6a-263a-4797-a001-134f0d384a26,1.9065,441.140,-0.045,213.280,9,9,6,2,0,1.525,367.088,moderate,high,vitamin B9
23,Berberine,finished_product,completed,7b42288b-d284-4ff2-87ef-5eda70e3f0eb,9fe2e72b-99c3-4a3c-bd99-828063b5baf8,5.6322,336.123,3.079,103.044,1,6,0,0,1,0.618,292.040,moderate,high,quaternary isoquinolinium supplement
24,Thiamine,finished_product,completed,afa9bcc3-2e4b-4861-81ce-d48d22399948,5dca5818-7522-42e3-bf68-19d24b118c35,1.2924,300.081,2.052,100.570,4,8,5,0,0,0.940,257.880,moderate,medium,vitamin B1
25,Melatonin,finished_product,completed,542b024d-e90a-4434-a872-2707654cdf86,1679243c-34cb-4815-a567-080c669433f3,1.0491,1.0437,232.121,1.855,54.120,4,2,2,0,0,0.429,218.928,moderate,high,indole amide
26,Nicotine,compound_proxy,completed,77388bd4-650e-4e8c-af52-9a5a2b31cc52,32fdd6e1-87e1-4a2a-b0f6-7847e596c0d3,0.8832,162.116,1.848,16.130,1,2,0,0,1,0.207,164.256,moderate,high,volatility/oxidation practical liabilities
27,Cocaine,compound_proxy,completed,265217d4-efeb-4970-a32e-cbd493b752a1,1b949d2e-82d4-488b-867f-8baefbd80799,1.4179,303.147,1.868,61.682,3,1,0,0,1,0.560,279.992,moderate,high,tropane diester
28,Apigenin,compound_proxy,completed,32128735-561d-4d5d-b86a-65cbecb81dd6,f630f70e-c303-4a00-acf7-13a231c8b4bd,1.8286,1.8862,270.053,2.577,94.830,1,5,3,0,0,0.747,222.568,moderate_poor,high,flavone
29,alpha-Tocotrienol,finished_product,completed,1.1063,0.9909,moderate_poor,medium,unsaturated vitamin E tail
30,LSD,compound_proxy,completed,1.1876,1.0950,moderate_poor,medium,light/acid sensitive in practice
31,Psilocybin,compound_proxy,completed,1.0264,0.8812,moderate_poor,medium,phosphate ester
32,Canagliflozin,finished_product,completed,da1f7d92-1aba-4b83-a01c-d0eeec16500b,025e2c05-7b31-453f-a348-9195f81997ba,1.4944,1.4673,444.141,2.968,118.390,5,6,4,0,0,1.134,386.552,moderate_poor,high,SGLT2 inhibitor
33,Modafinil,finished_product,completed,e5c9684c-4741-4a1b-8182-0291797ea2c7,1.3763,2.010,“acid 14.635; base -3.278”,moderate_poor,medium,sulfoxide amide
34,Retinoic acid (tretinoin reference),finished_product,completed,20927e66-60df-4c48-b662-cbb9ad99645e,c2f6d294-13fb-4545-ad9d-b3b1057e6298,2.2685,2.4390,326.225,6.159,107.941,6,1,1,1,0,375.837,poor,high,polyene retinoid
35,Oleic acid,raw_compound_proxy,completed,b7d39df4-e588-411b-9e5b-c560f45eda86,d7ec7eed-a579-4cdf-baa8-b85e502953e0,1.0550,0.8583,282.256,6.109,37.300,15,1,1,1,0,0.704,317.856,poor,high,MUFA fatty acid
36,Olive oil proxy (Triolein),oil_proxy,completed,f920c995-06fa-473a-8440-4e0bf6f5217b,09c6863f-5bac-4893-a6fd-79b1475f28e9,1.3722,1.2592,884.783,18.097,78.900,50,6,0,0,0,2.520,979.952,poor,high,bulk olive oil proxy
37,Vitamin A (retinol),finished_product,completed,68527a8d-fbd1-49cb-886a-58ac77872d8d,a8dc0445-fd2f-4660-8b5c-01be5fe0d66d,1.6822,286.230,5.510,50.726,5,1,1,0,0,0.446,312.360,poor,high,polyene alcohol
38,Vitamin K1 (phylloquinone),finished_product,completed,ef98401c-2249-4bad-9f1e-c942c45f22c4,ab0cdbf1-7e01-41e6-add6-b6278b121c49,2.7275,450.350,9.158,60.699,14,2,0,0,0,0.796,481.968,poor,high,quinone vitamin
39,EPA,raw_compound_proxy,completed,5cd017d2-ef44-45cc-94a6-328df4f83402,02b2ff8f-0664-4074-9caf-9e7f4e046cbc,1.2815,1.1708,302.225,5.993,37.300,13,1,1,1,0,1.015,327.392,poor,high,omega-3 PUFA
40,DHA,raw_compound_proxy,completed,fab88f61-5d3d-4bec-b2f1-c995a08857c8,3384fb2f-654d-460b-a773-b7c071a02d97,1.2959,1.2451,328.240,6.549,37.300,14,1,1,1,0,1.158,355.408,poor,high,omega-3 PUFA
41,Ubiquinol-10,raw_compound_proxy,failed,b01ea79a-faba-48c8-8f35-e5867e4b8988,96388d35-aa8e-424f-8d30-2881505a4a09,poor,low,failed clean Rowan optimization
42,Riboflavin,finished_product,completed,4aff668d-cf95-4113-8b3f-75e567d40e24,cf573b6f-8cd5-4ad4-a0e0-e33f21215d10,2.6169,376.138,-1.724,195.430,5,13,3,1.916,poor,high,especially poor if light exposed
43,Ascorbic acid,finished_product,qualitative_only,poor,medium,reducing antioxidant
44,Phytoene,raw_compound_proxy,completed,62646b62-883e-41b0-8079-de30882bc758,c758b77e-454a-49df-a507-6469e91d35fe,1.4188,1.3510,C40H64,544.501,13.834,0.000,20,0,0,0,0,1.175,625.696,poor,high,carotenoid precursor
45,Phytofluene,raw_compound_proxy,completed,a17b0e77-1d69-48fe-b1a1-0d2ff1a488e0,bb1709cb-245f-4074-b874-e443636ca531,1.6979,1.7252,C40H62,542.485,13.610,0.000,19,0,0,0,0,1.215,619.272,poor,high,carotenoid precursor
46,Lutein,raw_compound_proxy,completed,2.4511,2.6915,568.890,poor,medium,xanthophyll carotenoid
47,Zeaxanthin,raw_compound_proxy,completed,2.5428,2.8094,568.890,poor,medium,xanthophyll carotenoid
48,Lycopene,raw_compound_proxy,completed,60eb9ad3-64de-45b8-8862-1f94b070f083,d4cd5530-e193-4ac6-b5b9-fc5277856229,2.5544,2.8443,C40H56,536.438,12.938,0.000,16,0,0,0,0,1.355,600.976,very_poor,high,polyene carotenoid
49,Capsanthin,raw_compound_proxy,completed,3b1a4a88-4d06-4e51-91a7-6538421a3dd5,540fc987-3dfd-4108-8501-9302222238f7,2.8203,3.2988,C40H56O3,584.423,9.806,57.530,11,3,2,0,0,1.021,614.800,very_poor,high,oxygenated carotenoid
50,Bixin,raw_compound_proxy,completed,172a5030-eaf4-4107-a68e-9ba645297d4e,4b721483-de11-43b7-b7ce-fbe4d15a1ee2,3.0985,3.4945,C25H30O4,394.214,5.810,63.600,10,3,1,1,0,1.377,398.224,very_poor,high,apocarotenoid ester
51,Capsorubin,raw_compound_proxy,completed,46441c9e-2e5b-4226-8cf6-ed2fe6be03fe,ef65dac2-183b-49c8-80d9-ad78f222d7a9,3.2697,3.5082,C40H56O4,600.418,9.065,74.600,12,4,2,0,0,1.039,623.320,very_poor,high,oxygenated carotenoid
52,Crocin,raw_compound_proxy,completed,ff187352-67c6-42c2-828e-009a259e5b71,a3b3b4b7-4b54-40dc-8d1e-63af4d2a2634,3.0491,3.6854,C44H64O24,976.379,-5.225,391.200,18,24,14,0,0,3.003,853.184,very_poor,high,glycosylated apocarotenoid
53,Plasmalogen,raw_compound_proxy,qualitative_only,worst_keeper,medium,vinyl ether oxidation liability
,Vitamin B12 (cyanocobalamin),unresolved,failed,unresolved,low,Rowan submission failed cleanly