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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
(2S)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
236.35
3.3
0
2
26.3
5
(+)-(r)-3-Cyanomethyl-3-hydroxyoxindole
188.18
0.3
2
3
73.12
1
Nonioside A
410.40
-2.5
7
11
178.53
8
Methyl alpha-D-mannopyranoside
194.18
-2.2
4
6
99.38
2
methyl (1R,6S,7S,14R,15R,18S,21R,23R,24S)-6-(acetyloxymethyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1,10,15,18,21,24-hexamethyl-12-oxo-5,8-dioxahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-2,4(9),10-triene-21-carboxylate
732.90
8.6
1
10
126.82
8
(2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
591.70
3.1
4
7
138.1
8
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
411.50
3.2
2
7
116.15
11
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
439.60
4.3
2
7
116.15
13
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
467.60
5.3
2
7
116.15
15
Picolinic acid
123.11
0.8
1
3
50.19
1
(4bS,5S,9bS,10S)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
454.50
4.6
6
6
121.38
2
(4R)-4-hydroxy-2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-enyl]-5-methoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
358.40
1.9
2
6
93.06
7
6-Hydroxy-4-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
242.27
2.8
1
3
46.53
1
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
851.10
6.1
7
14
221.9
11
(8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol
352.40
3.6
2
5
68.15
2
Isopaynantheine
396.50
3.2
1
5
63.79
6
(2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-6,14,17-trihydroxy-5-methoxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
518.60
1.3
4
8
133.52
3
(2S,3R,6aS,7R,10aR)-3-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
312.40
2.8
1
3
54.37
1
2-[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
325.31
-1.4
4
8
132.4
5
2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
311.29
-1.7
5
8
143.4
4
4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
330.29
-1.5
5
9
145.91
5
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
295.29
-0.2
4
7
123.17
4
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1677.70
-6.5
23
41
647.11
23
4-[(1R,1aS,2aS,5R,5aR,7aS)-2a,7a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,5a,6,7-octahydro-1H-cyclopropa[f]azulen-1-yl]butan-2-one
288.50
5.9
0
1
17.07
4
4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
504.60
-2.3
6
11
175.37
8
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