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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
Mandassidione
234.33
2.3
0
2
34.14
6
N-(15-acetyl-12,16-dimethyl-7-methylidene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl)-N-methylacetamide
395.60
4.6
0
2
37.38
2
N-[(1S,3R,6S,8R,11S,12S,16S)-15-acetyl-12,16-dimethyl-7-methylidene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]-N-methylacetamide
395.60
4.6
0
2
37.38
2
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-3-one
218.33
3.7
0
1
17.07
0
(3R,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
268.35
1.6
2
4
66.76
0
1-(3,5-Dihydroxyphenyl)tricos-3-en-2-one
444.70
11.3
2
3
57.53
21
Ethyl tetracosanoate
396.70
12.1
0
2
26.3
24
2,4-Dimethyl-2,4-pentanediol
132.20
0.5
2
2
40.46
2
5-Hydroxy-2-(4-hydroxy-3-methylphenyl)-3,7-dimethylchromen-4-one
296.30
4.1
2
4
70.67
1
3-hydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid
340.28
0.4
3
9
139.59
9
3-Methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
296.27
2.7
1
5
80.67
2
4-[3-(4-Hydroxyphenyl)propyl]-2-methoxyphenol
258.31
3.3
2
3
49.69
5
Vanillylidene acetone
192.21
1.7
1
3
46.53
3
(3S)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
254.36
1.7
2
3
49.69
5
1-(2-Methoxypropan-2-yl)-4-methylbenzene
164.24
2.5
0
1
9.23
2
-3 Arachidonic Acid methyl ester
318.50
6.6
0
2
26.3
15
(24E)-Stigmasta-4,24(28)-dien-3-one
410.70
8.8
0
1
17.07
5
Butyl gallate
226.23
2.4
3
5
86.99
5
12-Hydroxyicosa-5,8,10,14-tetraenoic acid
320.50
5.2
2
3
57.53
14
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10R,22S,23R,24R,26R)-4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
1023.20
4.4
7
21
294.35
16
6,7,25,26,32-Pentahydroxy-5,24,31-trimethyl-20-pentyl-33-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one
839.00
1.6
8
18
261.98
6
4-[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
370.40
2.8
0
6
71.06
7
Quercetin 3-galactoside 7-rhamnoside
610.50
-0.9
10
16
269.43
6
CID 14131423
368.40
3.3
2
6
85.22
2
(R)-Pantothenic acid 4'-O-b-D-glucoside
381.38
-2.7
7
10
186.01
9
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