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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
N-[(6S,7R,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]benzamide
520.70
5.4
3
4
72.8
5
Euphornin
584.70
5.1
1
9
125.43
9
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
6.2
2
4
74.6
1
Virgatic acid
470.70
6.2
2
4
74.6
1
Phyllosterone
249.30
1.7
1
4
49.77
4
2-methoxy-5-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
327.40
3.2
1
5
51.16
3
2-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]acetaldehyde
180.29
2.7
0
1
17.07
2
(E)-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enal
192.30
3
0
1
17.07
2
4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]butan-2-one
208.34
3.1
0
1
17.07
3
4-[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]butan-2-one
208.34
3.1
0
1
17.07
3
(E)-1-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]pent-1-en-3-one
220.35
3.7
0
1
17.07
3
(E)-1-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]pent-1-en-3-one
220.35
3.9
0
1
17.07
3
17-Octadecynoic acid
280.40
7.1
1
2
37.3
15
Morusignin B
328.30
4
4
6
111.13
2
5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone
422.50
6.6
2
5
75.99
6
Cyclobutanone
70.09
0
0
1
17.07
0
6''-O-Malonyldaidzin
502.40
0.4
5
12
193.19
8
Methylenecyclohexane
96.17
2.6
0
0
0
0
[5-benzyl-2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3-(4-hydroxyphenyl)propanoate
526.50
2.6
6
10
166.14
10
3,5-Dihydroxy-4-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-6,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
484.70
6.7
3
5
94.83
9
[4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-7-yl]oxy-2-methyloxan-3-yl] acetate
650.60
0.5
7
16
244.27
8
[2-[3-(4-Acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
692.60
1
6
17
250.34
10
7-Hydroxyoctacosan-4-one
424.70
11.4
1
2
37.3
25
7-Hydroxytriacontan-4-one
452.80
12.5
1
2
37.3
27
3,4,5-Trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoic acid
470.30
1.2
8
13
239.33
2
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