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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
(1R,2R,5R,8R,9S,10R,11R,14S)-14-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
332.40
1.7
2
5
83.83
1
Gibberellin A121
330.40
1.1
2
5
83.83
1
2,2-Propanediamine
74.13
-0.9
2
2
52.04
0
(1S,2S,6S,7R,8R,11S,14S,15R,18R,20R,21S)-7,20,21-trihydroxy-7,8,14,15,19,19-hexamethyl-22-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
502.70
4
4
6
107.22
1
(3Z,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
352.30
3.6
0
6
63.22
3
(1R,4R,4aR,6S,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
224.38
4.4
1
1
20.23
1
1-[(12S,13R,18R)-6-methoxy-3,20-dimethyl-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
366.50
2.1
0
4
43.7
2
1-[(12S,13R,18R)-6-methoxy-7-[[(12S,13R,16S,17S,18R)-16-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-3,20-dimethyl-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
718.90
4.9
0
7
70.33
5
5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
444.40
2
1
9
101.91
5
2-Methoxypsoromic acid
388.30
2.8
2
9
128.59
4
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
446.40
0
6
10
170.05
4
methyl (2E,3E,5E)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-3-(hydroxymethyl)-2-(methoxymethylidene)hexa-3,5-dienoate
458.50
4.4
1
7
86.75
13
[(4S,8S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate
446.40
-1.5
4
12
186.51
7
(3S,5R)-5-[(11S)-11-hydroxy-11-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-3-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
594.90
7.9
2
7
110.13
26
(1S,2R,5R,10R,14S,15S)-14-[(E,5R)-5-ethyl-6-methylhept-2-en-2-yl]-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-7-en-5-ol
414.70
9.5
1
1
20.23
5
[(1S,3E,4R)-3-[2-[(1R,3aS,4R,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]ethylidene]-4-methylcyclohexyl] 7,16-dihydroxytetracosanoate
797.30
17.5
2
4
66.76
32
(1S,2R,5S,10R,14S,15S)-14-[(E,5R)-5-ethyl-6-methylhept-2-en-2-yl]-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-7-en-5-ol
414.70
9.5
1
1
20.23
5
(2S,5S)-2-[(1Z,2S,5R,8E,10R,14S,15S)-5-hydroxy-2,15-dimethyl-14-bicyclo[8.7.0]heptadeca-1(17),8-dienyl]-5,6-dimethylheptan-3-one
416.70
7.6
1
2
37.3
5
(2Z,6Z)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
220.35
4.2
0
1
17.07
0
(7Z,10Z)-2,7,9,9-tetramethylcycloundeca-7,10-diene-1,6-dione
234.33
3.3
0
2
34.14
0
[(1S,3R,8R,10S,11R,16S,17R)-5,11,15,15-tetramethyl-6,14-dioxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,12-dien-17-yl] acetate
386.40
1.8
0
6
82.2
2
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
795.00
3
8
14
232.9
7
kaempferol 7-O-glucoside
448.40
0.7
7
11
190.28
4
methyl (E)-3-[4-hydroxy-3-(3-methylbut-2-enoyl)phenyl]prop-2-enoate
260.28
3.5
1
4
63.6
5
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
522.50
0.3
6
11
167.53
10
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