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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
3-[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
594.50
-0.4
9
15
249.2
6
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
636.60
-0.4
8
16
255.27
8
(2S)-2-methyl-4-[(2R,6S,10R,13S)-2,6,10,13-tetrahydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one
612.90
7.3
5
8
136.68
26
(2S)-4-[(2R)-2-hydroxy-7-[(2R,5R)-5-[(1R,2R,4S,5R)-1,2,4,5-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
612.90
7.8
5
8
136.68
26
(2S)-4-[(2R)-2-hydroxy-9-[(2R,5R)-5-[(1S,4R,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
596.90
8.8
4
7
116.45
26
(2R)-4-[(2S)-2-hydroxy-7-[(2S,5S)-5-[(1R,4S,5R,10R)-1,4,5,10-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
612.90
6.9
5
8
136.68
26
(2S)-4-[(2S)-2-hydroxy-7-[(2R,5S)-5-[(1R,4S,5R,6S)-1,4,5,6-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
612.90
7.6
5
8
136.68
26
(5S)-5-Methyl-3-(11Z,15Z)-11,15-triacontadien-1-yl-2(5H)-furanone
514.90
14.7
0
2
26.3
27
(5S)-3-(13Z,17Z)-13,17-Dotriacontadien-1-yl-5-methyl-2(5H)-furanone
542.90
15.8
0
2
26.3
29
(2S,3R)-3-[(2S,9R,15R)-9,15-dimethylheptadecan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
554.80
11.1
3
6
96.22
17
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
376.36
-2
6
10
166.14
4
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
626.50
-1.6
11
17
289.66
6
rel-(I+/-S)-I+/--[(1R)-1-[4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]ethyl]-3,4,5-trimethoxybenzenemethanol
434.50
2.8
2
8
95.84
11
rel-(I+/-S)-I+/--[(1R)-1-[4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenoxy]ethyl]-3,4-dimethoxybenzenemethanol
404.50
2.8
2
7
86.61
10
(2E,4E)-N-[(2R)-butan-2-yl]deca-2,4-dienamide
223.35
4.4
1
1
29.1
8
[(2S,3R,4R,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
947.90
12
22
354.2
15
(1S,4aS,7S,7aS)-1-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
496.50
-0.1
6
12
192.44
7
4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
480.60
2.6
4
8
125.68
7
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
610.60
-0.5
8
15
234.29
7
(2R)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
470.60
4.6
3
7
105.45
9
(2R)-5,7-dihydroxy-2-[(2S,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-2,3-dihydrochromen-4-one
466.40
2.6
5
9
145.91
4
(2R)-2-[(E)-dec-1-enyl]tetradecanoic acid
366.60
10.8
1
2
37.3
20
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
594.50
-0.9
9
15
249.2
6
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1151.30
-1.4
13
25
373.75
12
methyl 2-[(1S,2S,4S,6S,9R,10R,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
466.50
2.2
0
7
92.04
4
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