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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
(E)-1-[(6aS,12aR)-9-acetyl-1,3,8,10-tetrahydroxy-2,6,6,11-tetramethyl-7,12a-dihydro-6aH-chromeno[3,2-c]chromen-4-yl]-3-phenylprop-2-en-1-one
530.60
5.9
4
8
133.52
4
[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate
558.60
1.5
3
12
175.12
16
6,7,14-Trihydroxy-2,9-dioxatricyclo[9.3.1.14,8]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
288.21
1.8
3
7
121.11
0
(2S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one
414.40
4.6
2
7
94.45
6
3-[(1S,4R,5R,6R,8S,9S)-9-hydroxy-9-(hydroxymethyl)-5-methyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodecanyl]propanoic acid
336.50
3.4
3
4
77.76
5
(1S,3aR,5aR,7R,9aS,9bR,10R,11aR)-6,6,9a,11a-tetramethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1,7,10-triol
336.50
1.7
3
4
69.92
0
(4aS,4bR,5R,7S,8R,10aR)-7-[(1S)-1,2-dihydroxyethyl]-5,8-dihydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one
352.50
0.9
4
5
97.99
2
(2R,4aS,4bS,5R,7S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-2,5-dihydroxy-1,1,4a,7-tetramethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
352.50
1.1
4
5
97.99
2
3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-(3,4-dihydroxyphenyl)propanoyl-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propyl]amino]butylamino]propyl]propanamide
694.80
2.9
9
10
211.92
22
3-(3,4-dihydroxyphenyl)-N-[4-[3-(3,4-dihydroxyphenyl)propanoyl-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propyl]amino]butyl]propanamide
637.70
3
8
9
199.89
18
(E,6S)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-enal
246.30
2.1
0
3
51.21
5
Ferutidin
372.50
4.8
1
4
55.76
5
3-[2,6-Dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
368.40
4
3
6
100.13
4
5-[(2S,3S)-4-[(2S,3S,4S,5R)-4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
924.90
8.8
10
13
229.99
8
1-[(1S,12S,13R,18R)-6-methoxy-20-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
352.40
2.2
1
4
54.56
2
(1S,12S,13R,18R)-6-methoxy-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
352.40
2.3
1
4
54.56
2
(1S,5'R,12S,13R,16S,18R,20S,21R)-5'-(hydroxymethyl)-3,16,23-trimethylspiro[15,17-dioxa-3,23-diazahexacyclo[10.10.1.02,10.04,9.013,21.016,20]tricosa-2(10),4,6,8-tetraene-18,2'-oxolane]-3'-one
452.50
1.6
1
6
73.16
1
(2S,3S,4S,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-hydroxy-3,5-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxane-2-carboxylic acid
1059.20
0.7
12
22
350.74
11
(E)-N-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
440.70
6.2
1
3
49.41
4
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
620.80
3.8
6
9
156.91
4
I(2)-D-Glucopyranosyl (3I(2),4I+/-)-3-[(O-I+/--L-arabinopyranosyl-(1a2)-O-I(2)-D-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate
1061.20
-0.2
13
22
353.9
12
(1R)-2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
242.27
1.4
2
3
58.14
3
(1S)-2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
242.27
1.4
2
3
58.14
3
1,2-Didehydrocrinan-3-ol
271.31
1.7
1
4
41.93
0
(3S,4S,4aS)-4-[(1S)-1-hydroxyethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
376.36
-1.8
5
10
155.14
4
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