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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
Olean-12-ene-3,11-dione
438.70
7.8
0
2
34.14
0
[(4bS,8aS)-4b,8,8-trimethyl-10-oxo-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-yl] acetate
342.50
5.7
0
3
43.37
3
(1R,2S,6S,9S,10R,11S,12S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-12,17,20-triol
431.70
4.2
3
4
63.93
0
Bisacurone
252.35
1.9
2
3
57.53
4
Bisacurone A
252.35
1.9
2
3
57.53
4
Bisacurone C
252.35
1.9
2
3
57.53
4
Bisacurone B
252.35
1.9
2
3
57.53
4
Bisacurol
220.35
4.1
1
1
20.23
4
(4R,6S)-2-methyl-6-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-2-en-4-ol
220.35
4.1
1
1
20.23
4
Cyclohexyl isothiocyanate
141.24
3.4
0
2
44.45
1
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
204.35
4.4
0
0
0
0
12-Octadecenoic acid, 9-oxo-, (12Z)-
296.40
5
1
3
54.37
15
3,5-Dimethyl-2-cyclohexen-1-one
124.18
1.2
0
1
17.07
0
2-Phenylpropan-1-ol
136.19
2.4
1
1
20.23
2
2,3,5,6-Tetramethylpyrazine
136.19
1.3
0
2
25.78
0
17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
10.1
1
1
20.23
6
Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis-
138.25
4.5
0
0
0
1
2-(3,4-Dihydroxyphenyl)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
756.70
-2.4
12
20
328.35
8
Methyl 4-acetyloxy-3,5-dimethoxybenzoate
254.24
1.5
0
6
71.06
6
Cyclopentene, 1-(2-methylpropyl)-
124.22
3.1
0
0
0
2
Thioacrolein
72.13
0.9
0
1
32.09
1
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
464.40
0.4
8
12
210.51
4
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
478.40
0.7
7
12
199.51
5
3-beta-d-Glucopyranosyloxy-4',5,7-trihydroxy-8-methoxyflavone
478.40
0.7
7
12
199.51
5
[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
507.18
-5.7
7
17
308.56
8
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