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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
Guignardone H
292.40
2
1
4
55.76
2
[(1S,3R,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-5-propanoyloxy-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-3-yl] butanoate
532.70
5.8
0
8
97.36
14
(3S,4R,5S)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
311.40
2.1
1
3
49.77
4
[(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
518.60
5.3
0
8
97.36
13
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-3,10-dimethoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
490.60
5.3
0
7
80.29
12
[(1S,3S,5R,6aS,7R,8R,10aS)-5-hydroxy-3-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[h][2]benzofuran-1-yl] acetate
390.50
4.5
1
5
64.99
7
(2S)-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
665.60
-2
10
16
276.6
9
(2S)-5-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
695.60
-2
10
17
285.83
10
(2S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
841.80
0.3
10
19
312.13
14
(2S)-5-hydroxy-1-[(E)-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
827.70
-3.8
13
21
355.75
12
(2S)-5-hydroxy-1-[(E)-3-[3-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
857.80
-3.8
13
22
364.98
13
(2S)-5-hydroxy-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindole-2-carboxylic acid
841.80
-0.3
10
19
312.13
14
(9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one
246.35
0.8
0
2
23.55
0
Propinqualin
436.40
0.2
7
10
169.3
4
(3S,4R,5S)-3-hydroxy-5-[(S)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
311.40
2.1
1
3
49.77
4
(3S,4S,5R)-3-hydroxy-5-[(R)-methoxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
311.40
2.1
1
3
49.77
4
[(1S,3R,5R,6aS,7R,8R,10aS)-1-acetyloxy-3-butanoyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
516.70
6.8
0
7
88.13
14
[(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
488.60
5.9
0
7
88.13
12
[(1S,3R,3aR,6aS,7R,8R,10aS)-1-acetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-5-oxo-3,3a,4,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-3-yl] butanoate
446.60
5.7
0
6
78.9
10
[(1S,3R,5R,6aS,7R,8R,10aS)-1-acetyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-3-yl] butanoate
446.60
5.4
1
6
82.06
10
(4R,5R,7R)-7-hydroxy-9,9-dimethyl-2,10-diaza-11-azoniatricyclo[5.3.1.04,11]undec-1(11)-ene-5-carboxylate
239.27
-0.7
3
3
87.43
0
(1S,2S,7R,9R,13R,17S)-4,15-dimethoxy-2,17-dimethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-14-carbaldehyde
388.40
1.3
0
7
95.97
3
(1S,2S,4S,7R,9R,13R,17S)-4-hydroxy-15-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
362.40
1.2
1
6
89.9
1
(1S,2S,4S,7R,9R,13R,17S)-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
376.40
1.7
0
6
78.9
2
(1S,2S,4S,7R,9R,13S,17S)-4,13-dihydroxy-15-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
378.40
0.1
2
7
110.13
1
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