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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
1-N-methylalbonoursin
270.33
2.6
1
2
54.86
2
2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid
349.40
0.2
2
6
79.23
5
2-Butyltetrahydrofuran
128.21
2.4
0
1
9.23
3
hydron;(2S)-2-hydroxybutanedioate
134.09
3
5
100.49
1
Nonalactone
156.22
1.6
0
2
26.3
0
5-Hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
536.50
1.1
5
13
186.74
8
6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
266.33
1.5
1
4
63.6
0
(3S,3aS,5aR,6R,9S,9aS,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
266.33
1.5
1
4
63.6
0
Dolichosterone
462.70
4.6
4
5
97.99
5
6-Deoxodolichosterone
448.70
6.2
4
4
80.92
5
(2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
448.70
6.2
4
4
80.92
5
17-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
450.70
6.3
4
4
80.92
5
6-Deoxocastasterone
450.70
6.3
4
4
80.92
5
6-Deoxohomodolichosterone
462.70
6.4
4
4
80.92
5
(2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-[(E,2S,3R,4R)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
462.70
6.4
4
4
80.92
5
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
492.50
0.9
5
11
164.37
9
Malabaricano
344.40
3.7
2
5
68.15
4
Tetrahydrofuroguaiacin B
344.40
3.7
2
5
68.15
4
Fragransin B1
404.50
3.7
2
7
86.61
6
4-[(2S,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
404.50
3.7
2
7
86.61
6
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
404.50
3.7
2
7
86.61
6
Fragransin C1
374.40
3.7
2
6
77.38
5
4-[(2S,3S,4R,5R)-5-(4-Hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
5
4-[(2S,3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
5
4-[(2R,3S,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
5
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