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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-tetradec-9-enoate
1025.50
16.7
2
8
127.2
36
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl tetradecanoate
1027.50
17.6
2
8
127.2
37
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-hexadec-11-enoate
1053.60
17.8
2
8
127.2
38
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (9Z,12Z)-octadeca-9,12-dienoate
1079.60
18.2
2
8
127.2
39
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl hexadecanoate
1055.60
18.7
2
8
127.2
39
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-octadec-11-enoate
1081.60
18.9
2
8
127.2
40
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl (Z)-octadec-13-enoate
1081.60
18.9
2
8
127.2
40
3-[(3S,4R,5S,6R,7Z,10S)-3-[(4R,4aS,8aR)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-6-methoxy-5,8-dioxo-4a-[(Z)-pentadec-10-enyl]-4,8a-dihydro-1H-naphthalen-2-yl]-4,10-dihydroxy-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl octadecanoate
1083.60
19.8
2
8
127.2
41
(2S,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
927.10
2.3
10
18
291.82
9
methyl (2S,4aR,8R,10aS,10bS)-2-(furan-3-yl)-10b-methyl-4-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
522.50
-0.1
4
11
165.12
6
[(1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,19R,20R,22S,23R)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-20-yl] acetate
590.70
0.5
3
11
158.05
4
[(1S,3Z,5S,7S,10S,13R)-13-acetyloxy-2,7,10-trihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2S,3R)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
599.70
1.1
4
10
153.83
8
(15S,19S)-19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
1056.80
2.1
18
27
478.57
3
(1S,2S,20S,42S,46R)-46-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
1206.90
3
20
31
545.33
2
(1S,2S,20S,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
1222.90
2.6
21
32
565.56
2
[(10R,11R,13R,14R,15S)-3,4,5,11,20,21,22-heptahydroxy-8,17-dioxo-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-14-yl] 3,4,5-trihydroxy-2-[[(1R,2S,19R,20S,22R)-7,8,9,12,13,14,29,30,33,34,35-undecahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]benzoate
1721.20
3.3
27
48
810.6
12
(E)-N-methyl-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-methylsulfonylprop-2-enamide
351.50
2.6
0
4
72.06
8
(1S,4R,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-4a-ol
222.37
3.7
1
1
20.23
1
(1S,4R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
206.37
5.1
0
0
0
1
(3R,3aR,6Z,10R,11aR)-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
250.33
2.5
0
3
43.37
0
[(3aS,5R,6R,6aS,9R,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
378.40
0.7
3
7
113.29
3
(1R,4S,6R,9R,10S,13R,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-diol
304.50
3.9
2
2
40.46
0
1alpha,6beta,7beta,11alpha,15beta-Pentahydroxy-7alpha,20-epoxy-ent-kaur-16-ene
366.40
-0.6
5
6
110.38
0
docosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
502.80
12.8
1
4
55.76
25
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,22S)-2,22-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
901.10
0.9
10
17
266.91
7
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