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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
methyl (4R,4aR,5R,11bR)-5-acetyloxy-11b-(acetyloxymethyl)-4,7-dimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
442.50
4.1
0
7
92.04
7
methyl (1S,12R,14R,15E,18S)-12-[(2R,3R,12bS)-3-ethenyl-9-hydroxy-2-(2-hydroxyethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-8-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
678.90
4.3
5
7
125.05
7
2,4,6-Trimethylheptane
142.28
4.8
0
0
0
4
(2E)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1S,2S,5R)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
502.70
2.9
3
6
96.22
5
[(3aS,4S,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
438.50
3.3
1
8
116.2
6
[(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydro-3H-cyclodeca[b]furan-11-yl] 2-methylbutanoate
512.60
2.2
2
10
145.66
9
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
580.60
0.4
5
13
174.99
9
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(oxolan-2-ylmethylamino)acetate
455.50
4.5
1
7
87
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxan-2-yl]methyl acetate
488.40
0.7
3
11
142.37
5
(1S,3R,4R,5R)-3-[(1R,5R,6R,7S)-7-(3,4-dihydroxyphenyl)-1-(hydroxymethyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carbonyl]oxy-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid
642.60
-0.1
8
15
257.81
10
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl N-(2-hydroxyethyl)carbamate
401.50
3.6
2
6
98
7
(1aR,7aR)-7a-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]-4,6-dihydroxy-1a-(4-hydroxyphenyl)oxireno[2,3-b]chromen-7-one
732.60
2.3
10
17
289.8
6
methyl (1S,12R,14R,15E,18S)-12-[(2R,3E,12bS)-3-ethylidene-9-hydroxy-2-(2-hydroxyethyl)-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-8-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
678.90
3.7
5
7
125.05
6
5-hydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
478.40
0.8
7
12
199.51
4
(1S,4S,5R)-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-3,6-dioxabicyclo[3.1.0]hexan-1-ol
282.29
1.3
2
4
70.67
2
[(1R,2S,3R,7S,8R,9S,11S,13R)-1,2,9-trihydroxy-9,13-dimethyl-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] (Z)-2-methylbut-2-enoate
396.40
1
3
8
122.52
3
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(butylamino)acetate
427.50
5.3
1
6
77.77
10
[(1S)-1-[(2S,5R)-5-[(S)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]oxolan-2-yl]ethyl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
388.40
2.7
2
7
102.29
7
(1S,3R,4R,5R)-3-[(1S,5S,6S,7R)-7-(3,4-dihydroxyphenyl)-1-(hydroxymethyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carbonyl]oxy-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid
642.60
-0.1
8
15
257.81
10
(3R,5R,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
490.70
5
4
5
97.99
6
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-phenylethyl carbonate
462.50
6.8
0
6
74.97
9
methyl (3aR,8bR)-8b-hydroxy-6-methoxy-3a-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole-4-carboxylate
278.30
0.5
2
5
71.03
2
(1S,11S,12S,13R,16S,17R)-17-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15,18-trione
326.30
-0.2
1
5
80.67
0
[(1S)-1-[(2S,5R)-5-[(S)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]oxolan-2-yl]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
404.40
2.3
3
8
122.52
7
[(Z,1S)-3-methyl-1-[(2S,3R)-4-methylidene-2-[(E)-2-methyl-3-oxoprop-1-enyl]-5-oxooxolan-3-yl]-4-oxopent-2-enyl] (Z)-2-methylbut-2-enoate
360.40
2.2
0
6
86.74
8
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