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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
Meridinol
370.40
2.9
1
7
83.45
4
(2E,11E)-12-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)dodeca-2,11-dienamide
371.50
7.1
1
3
47.56
12
DHMBOA hexose
387.34
-1.1
4
10
147.38
5
5-Hydroxyauranetin
388.40
3.4
1
8
96.59
6
[(Benzyltrisulfanyl)methyltrisulfanyl]methylbenzene
388.70
5.6
0
6
151.8
10
Adoxoside
390.40
-1.4
5
10
155.14
6
(3aR,3bS,5aR,6R,8aS,8bS,10aR)-10a-hydroxy-3a,5a-dimethyl-6-[(2R)-6-methylheptan-2-yl]-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-one
390.60
7.4
1
3
46.53
5
(4aR,6R,8aS)-4,8a-dimethyl-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
398.50
0.5
4
7
116.45
4
Bornyl valerate
238.37
4.7
0
2
26.3
5
ethyl N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
422.40
3.9
0
7
79.35
6
Haperforin G
424.50
2.1
1
6
85.97
1
Allobetulin
442.70
8.1
1
2
29.46
0
(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
452.50
3.2
0
8
101.27
6
[(2S,3R,4S,5R,6R)-2-[(3S,6R)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
430.50
-1.5
6
11
191.59
10
Munronin F
474.50
1.5
1
9
128.73
4
Taxinine A
476.60
1.8
1
8
116.2
6
(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
480.50
0.3
7
11
178.53
5
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
480.60
0.5
6
7
138.45
5
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
488.40
1.2
4
11
165.12
7
adenanthin J
492.60
1.3
2
9
136.43
6
adenanthin K
492.60
1.3
2
9
136.43
6
Lappadilactone
494.60
3.8
1
6
89.9
2
N-Benzoylbuxahyrcanine
506.80
6.5
2
3
52.57
4
9-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyoxan-3-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
574.50
1.1
4
13
191.4
9
muricin G
594.90
7.7
4
7
116.45
25
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