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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-Acetylthiophene
126.18
1.2
0
2
45.31
1
5-Indanol
134.17
2.4
1
1
20.23
0
7(14)-Isodaucen-10-one
220.35
3.6
0
1
17.07
1
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
682.80
3.4
5
11
172.21
8
15Beta-Hydroxycalotropin
548.60
0
4
10
151.98
2
o-Phosphohomoserine
199.10
-5.5
4
7
139.89
5
2-(2-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
416.40
0.7
5
9
149.82
4
Avicennol
342.40
3.2
1
5
68.9
3
cis-Avicennol
342.40
3.2
1
5
68.9
3
6-[(E)-3-ethoxy-3-methylbut-1-enyl]-5-methoxy-2,2-dimethylpyrano[2,3-h]chromen-8-one
370.40
4.1
0
5
57.9
5
5-methoxy-6-[(Z)-3-methoxy-3-methylbut-1-enyl]-2,2-dimethylpyrano[2,3-h]chromen-8-one
356.40
3.7
0
5
57.9
4
5xi-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
344.40
2.7
3
5
86.99
9
5-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
404.50
2.7
3
7
105.45
11
5'-Methoxyhexahydrocurcumin
404.50
2.7
3
7
105.45
11
(E)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
342.40
3.4
3
5
86.99
8
[5-Acetyloxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate
446.50
4
3
8
122.52
13
1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diyl diacetate
432.50
3.7
4
8
133.52
12
[2-acetyloxy-4-[(3S,5S)-3,5-diacetyloxy-7-(3,4-diacetyloxyphenyl)heptyl]phenyl] acetate
600.60
4.1
0
12
157.8
20
1,3-Dimethoxy-2-hydroxy-9,10-anthraquinone
284.26
2.5
1
5
72.83
2
2,6-Dihydroxy-1,3-dimethoxyanthracene-9,10-dione
300.26
2.1
2
6
93.06
2
(1S,2R,3R,4S,7S)-8,8-dimethyl-2-(3-oxoprop-1-en-2-yl)spiro[bicyclo[5.1.0]octane-4,2'-oxirane]-3-carbaldehyde
248.32
1.3
0
3
46.67
3
N-Formylbenzamide
149.15
1
1
2
46.17
1
3-O-Acetyloleanolic acid
498.70
8.1
1
4
63.6
3
4-Hydroxybenzoylcholine
224.28
2.2
1
3
46.53
5
9H-Furo[3,2-h][2]benzopyran-9-one, 2,3,6,7-tetrahydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-, (2S,7S)-
292.33
2.2
1
5
64.99
2
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