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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
5-[2-(3,4-Dihydroxyphenyl)ethyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,7-diol
398.50
5
4
5
90.15
5
[(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,12,16-trimethyl-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-enyl]methyl acetate
486.70
5
1
5
53.01
6
N-[(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]benzamide
488.70
7.3
1
2
32.34
4
(1R,2S,4S,7R,8R,9S)-7-ethyl-7-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
358.40
1.1
2
5
71.03
2
(1R,2S,4S,7E,8S,9S)-7-ethylidene-8-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
370.40
0.6
1
5
62.24
1
4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
372.50
-0.2
4
7
116.45
6
(1R,3aS,4S,5R,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
222.37
4.3
1
1
20.23
1
(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
334.30
0.7
4
7
108.61
3
(1S,2S,7R,9R,11R,13R,14S,15R,16S,17R)-14,15,16-trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
396.50
0.8
3
7
105.45
2
[(2S,3aR,4S,4'S,5'R,5aR,6R,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3,8-dioxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
952.90
-5.3
12
25
396.25
11
[(3S,3aS,5aR,6S,8R,9aS,9bS)-8-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-6-yl] acetate
308.40
1.6
1
5
72.83
2
CID 101607178
332.50
5
2
3
49.69
2
2-[(2R,4aS,6S,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
250.33
2.6
2
3
57.53
2
Epicatechin-(4beta->8)-epicatechin-(4beta->8)-catechin 3''-gallate
1018.90
4.5
17
22
397.9
8
methyl (9R,12S,13Z,16S,17R)-13-ethylidene-18-oxo-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
350.40
1.7
1
5
58.64
2
(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
398.70
5.9
1
2
15.27
3
(3S,3aS,6R,6aS)-3,6-dimethyl-6-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
250.29
1.8
0
4
52.6
1
(3R,3aS,6R,6aS)-3,6-dimethyl-6-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
250.29
1.8
0
4
52.6
1
Tinophyllol
374.40
2.7
1
6
85.97
3
(2R,3R,4R,4aR,6aR,6bS,8aR,11S,12R,12aS,14aR,14bR)-2,3,11-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
518.70
4.2
5
7
135.29
2
(2R,3R,4R,4aR,6aR,6bS,8aR,12R,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4,8a-dicarboxylic acid
500.70
4.8
4
6
115.06
2
(1R,2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-2,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
680.80
2.4
8
12
214.44
5
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
668.60
-0.4
8
16
243.52
14
(16Z)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
542.60
-0.4
5
12
181.44
3
(1S,5R,6R,13R,21S)-5-(3,4-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
560.50
2.7
8
11
189.53
2
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