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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
Avenanthramide K
315.28
2.1
5
6
127.09
4
[(7S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
315.36
-1
3
6
110.05
6
3,5,7-Trihydroxy-2-(4-hydroxy-2-methoxyphenyl)chromen-4-one
316.26
1.9
4
7
120.36
2
(1S,4S,12S,13R,16S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
316.40
3.3
2
3
53.6
1
5-Thia-8,11,14,17-eicosatetraenoic acid
322.50
5.3
1
3
62.6
14
Naamine A
323.40
3.2
2
4
73.3
5
Chamissonolide
324.40
1.3
2
6
93.06
2
2-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
324.40
5.2
2
4
62.83
4
(-)-Spectaline
325.50
5.2
2
3
49.33
13
Roccellaric acid
326.50
6.7
1
4
63.6
13
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-3-(2,3,4-trimethoxyphenyl)-, (3S)-
330.30
2.6
1
6
74.22
4
Colutequinone B
330.30
2.1
0
6
71.06
4
(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
330.50
4.2
1
2
15.27
2
3,3,6-Trimethylhepta-1,5-dien-4-ol
154.25
3.1
1
1
20.23
3
[(1R,2S,4S,8R,9R)-9-acetyloxy-3,3-dimethyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-en-12-yl]methyl acetate
334.40
2.5
0
5
61.83
5
2-[3-(Hydroxymethyl)phenoxy]-3-[2-(4-hydroxyphenyl)ethyl]phenol
336.40
4.1
3
4
69.92
6
2-(1,3-Benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
340.40
3.8
0
5
53.99
4
1-[(1S,3R,6R,9S,10S)-3,9-dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl]-4-methylpentan-3-one
336.50
2.1
2
4
66.76
4
Carbazoquinocin F
337.50
5.9
1
2
49.93
7
Hydantoic acid
118.09
-1.4
3
3
92.42
2
Alkannin-beta-hydroxyisovalerate
388.40
3.4
3
7
121.13
7
5,6-Dihydroxy-7,3',4'-Trimethoxyflavone
344.30
2.9
2
7
98.36
4
(4aR,5aS,8aS,13aR,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
350.40
1.4
0
3
52.6
0
Glicophenone
358.40
4.2
4
6
107.22
6
Latinone
360.40
4.1
1
5
72.83
3
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