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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
4-Ethoxybenzoic acid
166.17
2.4
1
3
46.53
3
(6R)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
168.23
2
1
2
37.3
1
(6S)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
168.23
2
1
2
37.3
1
(1s)-2-Oxo-3-p-menthenol
168.23
2
1
2
37.3
1
(3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
436.70
5.3
4
4
80.92
6
(3S,5S,8R,9S,10S,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
358.60
5.4
1
2
15.27
3
[(2R,3S,4R,5R,8S,9S,10R,13S,14S,17S)-4-acetyloxy-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
544.80
6.4
1
6
84.94
8
(2S,4aS,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
236.35
2.7
2
2
40.46
2
(inverted exclamation markA)-Emodin bianthrone
510.50
5.8
6
8
155.52
1
8-(1,1-Dimethylallyl)genistein
338.40
4.6
3
5
90.9
3
5,7-Dihydroxy-3-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]chromen-4-one
420.50
5.5
3
6
100.13
3
(8R)-8-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
490.60
7.2
3
6
96.22
5
(8S)-8-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
490.60
7.2
3
6
96.22
5
[(2S,3R,4S,5R)-2-[[(1S,4R,5R,6R,8R,10R,12S,13R,16R,18S,21R)-8-[(1S)-1-acetyloxy-2-hydroxy-2-methylpropyl]-4,6,12,17,17-pentamethyl-11-oxo-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
704.90
4.7
3
11
158.05
8
[(2S,4aS,10aR)-6-methoxy-1,1,4a,7-tetramethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-2-yl] acetate
344.40
4.2
0
4
52.6
3
13-Methyl-8,11,13-podocarpatriene-3,12-diol
274.40
4.4
2
2
40.46
0
27-hydroxyheptacosyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
558.90
14
2
4
66.76
30
(1R,13S,15R,18R)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
301.34
1.3
1
5
51.16
1
methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoate
332.50
5.1
0
3
43.37
5
2-Oxokolavenol
304.50
4.6
1
2
37.3
4
Daphnipaxinin
352.40
0.3
1
5
72.63
0
7-[(2S,3S)-2,3-dihydroxy-3-methyl-4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butoxy]-8-hydroxychromen-2-one
378.40
1.4
3
8
126.43
6
(10bR)-9-hydroxy-7,8-dimethoxyspiro[1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-2,4'-cyclohexa-2,5-diene]-1',3-dione
341.40
1.4
1
5
76.07
2
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
345.40
2.6
3
5
88.02
8
5-Methylfurfural
110.11
0.7
0
2
30.21
1
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