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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
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3Z,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
410.70
8.7
1
1
20.23
5
22-Dehydroclerosterol
410.70
8.7
1
1
20.23
5
Methyl heptadecanoate
284.50
8.5
0
2
26.3
16
Securinegine
217.26
1.4
0
3
29.54
0
Deoxyartemsinin
266.33
2.4
1
4
55.76
0
5,18-Dihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
512.50
1
2
9
136.43
0
6-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
592.50
-0.6
8
14
228.97
6
2,4,6-trihydroxy-3-methyl-5-[(3S)-3-methylpentanoyl]benzaldehyde
266.29
3.3
3
5
94.83
5
2,4-Undecadiene-8,10-diynoic acid isobutylamide
229.32
3.2
1
1
29.1
7
(2Z,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
229.32
3.2
1
1
29.1
7
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
243.34
3.7
1
1
29.1
7
(2E,4E,10E)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide
245.36
4
1
1
29.1
6
(2E,4Z,10Z)-N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide
245.36
4
1
1
29.1
6
dodeca-2E,4E,8Z-trienoic acid isobutylamide
249.39
4.5
1
1
29.1
9
(2E,7Z)-N-Isobutyl-2,7-tridecadiene-10,12-diynamide
257.37
4
1
1
29.1
9
(2E,4Z)-N-(2-methylbutyl)undeca-2,4-dien-8,10-diynamide
243.34
3.6
1
1
29.1
8
(2E,4Z)-N-(2-methylbutyl)dodeca-2,4-dien-8,10-diynamide
257.37
4.1
1
1
29.1
8
[(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methanol
562.90
13.8
1
1
20.23
20
5,6,7-Trimethoxy-8-(3-methyl-2-oxobutyl)chromen-2-one
320.30
2.5
0
6
74.97
6
3-(5,7-Dimethoxy-2-oxochromen-8-yl)-2,2-dimethylpropanoic acid
306.31
2.5
1
6
85.97
5
3-(5,7-Dimethoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal
290.31
2.5
0
5
65.74
5
Methyl nonadecanoate
312.50
9.5
0
2
26.3
18
Dimethyl suberate
202.25
1.9
0
4
52.6
9
3H-Naphtho(1,8-bc)furan-3,8(4H)-dione, 5,5a,6,7-tetrahydro-7-methyl-5-(1-methylethyl)-, (5R,5aR,7S)-
246.30
2.9
0
3
47.28
1
Dimethyl azelate
216.27
2.5
0
4
52.6
10
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