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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
Guangsangon L
476.50
4.3
6
8
155.52
5
Scroside D
478.40
-2.4
9
13
218.99
8
Agastenol
478.50
3.6
3
8
114.68
8
methyl (1R,3R,13S,16S,17R)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
480.50
-0.5
3
11
165.89
4
(6S,7S,8R,10S,14R,16R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
482.50
1.5
3
8
117.98
3
rel-(6R,8S)-6,8-Dotriacontanediol
482.90
14.3
2
2
40.46
29
beta-ERYTHROIDINE
273.33
-0.2
0
4
38.77
1
Flemiphilippinin A
488.60
7
3
6
100.13
5
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
488.70
5.3
4
5
97.99
2
1-[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
494.60
1
5
8
136.68
4
Thebacon
341.40
2.4
0
5
48
3
Dehydroneotenone
336.30
3.4
0
6
71.04
2
1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
394.40
0.9
6
9
156.91
4
5-Styrylresorcinol
212.24
3.5
2
2
40.46
2
(6aS,11aS)-4-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
522.50
6.2
2
7
90.52
5
[(2S,3S,4R,5R,6R)-5-acetyloxy-6-hydroxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
526.50
3.7
1
10
126.82
12
[(2Z,4E)-6-[(3R,4S,5S,6R,7Z,10S)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-3-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] acetate
528.70
4.8
3
6
104.06
13
Nepapakistamine
528.70
4.9
2
6
93.73
8
3,5-Di-O-caffeoylquinic acid methyl ester
530.50
1.9
6
12
200.28
10
Kukoamine D
530.70
1.5
7
8
168.38
18
(7'R)-7'-hydroxylariciresinol tetraacetate
544.50
2.7
0
11
132.89
14
Liquiritin apioside
550.50
-0.8
7
13
204.83
7
(1S,2S,6S,7R,14S,15S)-17-methoxy-7,15,19,20-tetramethyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one
554.60
1.2
4
11
153.37
4
(2S,3S)-3-[(2S,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
556.50
5
5
10
162.98
4
[(3aR,4R,6aR,8S,9aR,9bR)-3,6,9-trimethylidene-2-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
558.60
0.6
5
11
172.21
7
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