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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,3R,6S,7S,8R,10S)-6,10-dimethyl-3-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol
236.35
3.3
1
2
32.76
1
(2E)-2-[(2R,3R,3aR,5aR,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-7-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-6-ylidene]acetic acid
602.70
2.7
3
10
164.5
10
1-[3-(4-Methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]ethanone
282.40
4.6
0
1
17.07
5
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromene-8-sulfonic acid
382.30
1.7
4
9
158.97
3
(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
372.30
1.8
3
8
118.59
3
(1S,2R,7S,10R,11S,13R,15R,16R,19S)-1-hydroxy-7-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,15,19-trimethyl-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-12-one
652.80
0.8
5
12
173.6
6
(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,11-dihydroxy-10-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
664.90
7.2
4
8
133.52
6
[(1S,3R,5R,7S,10R,11E,13R,14R)-3,6,6,10,14-pentamethyl-2,9-dioxo-13-tricyclo[10.3.0.05,7]pentadec-11-enyl] acetate
360.50
3.4
0
4
60.44
2
(1R,13R,14S,21S)-14,21-dihydroxy-17-[2-(4-methoxyphenyl)ethyl]-6-(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15(20),17-hexaene-4,19-dione
578.60
4
2
8
119.34
7
(1S,2S,9R,17S)-13,17-dihydroxy-3,15-dimethoxy-2,6,14-trimethyl-4-(3-oxo-3-phenylpropyl)-9-phenyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-3,6,11(16),12,14-pentaen-5-one
582.60
4.9
2
8
111.52
7
3-(3,4-Dimethoxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)chromen-4-one
382.40
4.8
1
6
78.13
6
3-(2,4-Dihydroxyphenyl)-5-hydroxy-6,8,8-tris(3-methylbut-2-enyl)chromene-4,7-dione
490.60
6.6
3
6
107.97
7
[(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-1-[(2R)-2-[(1S)-1,2-dihydroxy-2-methylpropyl]-2,3-dihydrofuran-4-yl]-4-hydroxy-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
598.80
4.1
3
8
122.52
6
(3R)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
316.30
1.9
2
6
85.22
3
(1S,2R,6S,7S,8R)-6-[2-(furan-3-yl)-2-hydroxyethyl]-1-hydroxy-2,6-dimethyl-10-oxo-9-oxatricyclo[6.2.2.02,7]dodeca-4,11-diene-5-carboxylic acid
374.40
1.4
3
7
117.2
4
methyl (1R,5S,8R,11S)-8-hydroxy-1,5,11-trimethyl-3,9-dioxotricyclo[6.2.1.02,6]undec-2(6)-ene-11-carboxylate
292.33
0.6
1
5
80.67
2
[(3aR,4R,5aR,6R,9S,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2,8-dioxo-3a,4,5,6,7,9,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (E)-2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate
494.50
1
3
10
156.66
9
[(3aR,4R,7R,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-10-(hydroxymethyl)-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
436.50
-0.5
3
9
139.59
7
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1R,12S,14R,15S,18R)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
676.90
7
2
6
90.66
7
(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-8-[4-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
726.90
6.6
0
11
89.55
12
(2R,3R,4S,5S,6R)-2-[[(2S,4aS,10aR)-5-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
642.70
1.4
9
13
218.99
7
(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
342.30
1.8
3
7
109.36
2
(E)-5-[(1R,4aR,5S,8aS)-2,5-bis(hydroxymethyl)-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
336.50
3.4
3
4
77.76
6
1-[(3S,5S,8R,9R,10S,14R,17S)-17-[(2S,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanone
486.80
7.7
1
3
46.53
2
2-[(1R,9S,10S,12R,13R,14R,16R)-13-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-1,12-dihydroxy-10,14,16-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadeca-4,6-dien-6-yl]-2-methylpropanoic acid
588.70
2.7
4
10
167.66
8
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