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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
5,7-Dihydroxy-2-(3-hydroxyphenyl)-3-methoxychromen-4-one
300.26
2.2
3
6
100.13
2
Catechin 5-O-gallate
442.40
1.1
7
10
177.14
4
Catechin 5,3'-di-O-gallate
594.50
1.8
9
14
243.9
7
Catechin 5,4'-di-O-gallate
594.50
1.8
9
14
243.9
7
Catechin 5,7,-di-O-gallate
594.50
1.8
9
14
243.9
7
Erythbigenin
452.50
6.1
4
7
120.36
6
3-[4,5-Dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
384.40
4.2
4
7
120.36
4
3',5'-Dimethoxy-4',5,7-trihydroxyisoflavone
330.29
2.6
3
7
109.36
3
[(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-(hydroxymethyl)prop-2-enoate
410.40
-1.2
3
9
131.75
6
6-O-Caffeoylarbutin
434.40
0.8
6
10
166.14
7
coumaroyl(3-OH)(-6)All(b)-O-Ph(4-OH)
434.40
0.8
6
10
166.14
7
2-Methoxy-4-allylphenyl 6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranoside
458.50
-1
6
11
167.53
9
Deoxyneocryptotanshinone
298.40
4.2
1
3
54.37
1
niveusin B
378.40
1.4
2
7
102.29
4
(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
234.33
1.8
1
2
37.3
1
(1S,2S,5R,6S,10R,12R,14S)-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
248.32
2
0
3
38.83
0
(3aS,6aR,8S,9S,9aS,9bS)-8,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
264.32
0.9
2
4
66.76
0
4-[(3S,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carbonyl]pent-4-enoic acid
280.32
1.6
1
5
80.67
5
4-[(3R,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carbonyl]pent-4-enoic acid
280.32
1.6
1
5
80.67
5
(3S,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
198.22
1.1
1
4
63.6
1
(3R,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
198.22
1.1
1
4
63.6
1
[(3S,3aR,4R,5R,9aR,9bS)-4-acetyloxy-9a-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,7,9b-hexahydroazuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
404.50
1.4
1
7
99.13
5
(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
438.50
1.6
4
9
127.07
12
(2R,3R,4R,5R,6S)-2-[3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-methyloxane-3,4,5-triol
554.60
0.5
6
12
176.76
13
(2R)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propan-1-one
406.40
2.1
3
8
114.68
11
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