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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,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
586.90
10.3
3
3
60.69
10
(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
604.90
9.7
4
4
80.92
10
Ipomoeaxanthin C1
586.90
10.5
2
3
49.69
9
(1R,2S)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(2S,7aR)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-1,3,3-trimethylcyclohexane-1,2-diol
586.90
10.5
2
3
49.69
9
4-Carboethoxy-6-hydroxy-2-quinolone
233.22
0.9
2
4
79.39
3
(3S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
666.80
2.9
8
11
197.37
5
[(1S,3S,4S,4aR,8S)-8a-(acetyloxymethyl)-4-[(2S,5R)-5-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-3-hydroxy-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] pyridine-3-carboxylate
559.60
2.5
1
10
125.94
9
[(1R,2S,4R,8S,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
366.40
3.3
0
6
71.06
4
[(1R,2R,4S,6S,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
350.40
1.7
1
6
85.36
3
[(1R,2Z,4R,8R,9R,11R)-1-hydroxy-12-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate
378.40
1.4
1
7
91.29
4
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
328.40
5.2
1
4
47.92
6
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
358.40
5.1
1
5
57.15
7
Hoerhammericine
368.40
1.4
2
6
74.33
3
2,6-Dimethylhept-3-ene
126.24
3.7
0
0
0
3
2,2-Dimethyl Gibberellin A4
360.40
2.5
2
5
83.83
1
N-Benzylpentadecanamide
331.50
7.8
1
1
29.1
15
Di-(p-hydroxy-cis-styryl)methane
252.31
4.4
2
2
40.46
4
(1S,3R,4R,5R)-3-(3-carboxypropanoyloxy)-1,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxycyclohexane-1-carboxylic acid
616.50
1.5
7
15
254.65
14
7-[[(1S,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one
442.50
4.9
1
6
78.13
5
(2R,4S,6R,9R,10R,11R,15S,20R)-6-(2-hydroxypropan-2-yl)-2,9,11,15,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docos-1(14)-en-18-one
456.70
5.8
1
3
46.53
1
Reticulin
329.40
3
2
5
62.16
4
[(6S,8R,11R,12S,14R,15S,16R)-6-benzamido-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-14-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl] acetate
546.80
6.7
1
4
58.64
6
(25s)-5alpha-Spirostane-2beta,3beta,6beta-triol
448.60
4.2
3
5
79.15
0
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-methoxybenzoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
590.80
9.5
1
5
72.83
5
(1S,2R,5S,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-6,14-dihydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
520.70
2.6
3
8
125.82
3
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