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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
[(3aR,4S,9R,9aS,9bR)-9-formyl-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
410.40
1.3
1
7
106.97
5
(1S,4S,8R,9R,12S,13S,14S,16S,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
394.50
0.9
2
7
102.29
2
[(1S,4S,6S,8R,9R,12S,13S,14S,16S,17S)-9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-6-yl] acetate
452.50
0.5
2
9
128.59
4
2-Hexyl-5-heptylresorcinol
292.50
7.7
2
2
40.46
11
(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthrene-3,9-diol
415.40
1.6
4
4
80.92
3
19-Carboxydigitoxigenin
418.50
1.6
3
6
104.06
3
trans-Dipropenyl disulfide
146.30
2.4
0
2
50.6
3
Stigmasta-5,25-dienol
412.70
9.4
1
1
20.23
7
Trimethyldihydrodithiazine
161.30
1.7
0
3
53.84
0
e-Farnesol
222.37
4.8
1
1
20.23
7
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
Schottenone
412.70
8.7
0
1
17.07
6
1,26-Hexacosanediol diferulate
751.00
15.7
2
8
111.52
35
1-(5,8-Dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxy-3-phenylprop-2-en-1-one
366.40
4.5
1
5
64.99
5
9,19-Cyclolanost-23-ene-3,25-diol
442.70
8
2
2
40.46
4
1-Bromo-3-iodoacetone
262.87
1.4
0
1
17.07
2
2-Dec-9-enylphenanthrene
316.50
9.4
0
0
0
9
Epoxy-z-coniferyl alcohol
194.18
1.1
2
4
62.22
2
N-methyl-N-(2-methylpropyl)-2,4-tetradecadiene-8,10-diynamide
285.40
4.9
0
1
20.31
8
2,3-Anhydromannose
162.14
-2.4
3
5
90.29
4
3-Hydroxy-4,5-methylenedioxybibenzyl
242.27
3.6
1
3
38.69
3
8-Geranyl-5,7-dihydroxychromone
314.40
5.2
2
4
70.67
5
4-Hydroxy-2-methoxydihydrochalcone
256.30
2.6
1
3
46.53
4
2',7-Dihydroxy-4',6-dimethoxyisoflavan
302.32
2.9
2
5
68.15
3
8-Geranyl-4-(3,3-dimethylallyl)-7-methoxy-1,3,6-trihydroxyxanthone
478.60
8.1
3
6
100.13
8
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