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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
Erythravine
299.40
1.6
1
4
41.93
2
1,3-Dihydroxy-2,6-dimethoxy-8-methylxanthen-9-one
302.28
3.1
2
6
89.13
2
3-[2-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]ethyl]-2H-furan-5-one
316.40
3.7
0
3
43.37
3
Isonerylgeraniol-18-oic acid
320.50
5.3
2
3
57.53
11
2-(5-Methoxy-2,2-dimethylchromen-6-yl)-1-benzofuran-6-ol
322.40
4.5
1
4
51.83
2
(1S,6R,7R,13R)-7-[2-(furan-3-yl)ethyl]-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-ene-4,10-dione
328.40
2.8
0
4
56.51
3
Cappariloside A
334.32
-0.5
5
7
138.96
4
3,3-Dimethylhexane
114.23
4.1
0
0
0
3
(1R,2R,4S,5S,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
348.40
0.7
3
5
94.83
1
(13aR)-3,4,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
363.40
4.8
0
4
30.93
3
Glycerylphosphorylcholine
257.22
-2.3
2
6
108.86
8
(1R,4S,5R,9S,10S,12S,13R,15S)-12-acetyloxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
376.50
3.2
2
5
83.83
3
Burseranin
382.40
3.2
0
7
72.45
2
Sacidumlignan A
384.40
4.7
2
6
77.38
5
1-(2,4,6-Trihydroxyphenyl)-11-(2-hydroxyphenyl)undecan-1-one
386.50
6.8
4
5
97.99
12
Ophiobolin C
386.60
5.3
1
3
54.37
5
caesalpinin F
418.50
2.1
1
7
103.04
4
Gambogenone
452.50
5.7
3
6
111.9
4
(Z)-epsilon-Viniferin
454.50
5.4
5
6
110.38
4
Gomphoside
518.60
1.8
3
8
114.68
1
Euphorbia factor L1
552.70
4.7
0
8
108.5
8
(2,4-dihydroxyphenyl)-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
566.60
6.2
7
8
158.68
6
(2S,3R,4S,5S,6R)-2-[4-hydroxy-3-[2-hydroxy-3-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
570.50
-0.8
10
14
239.22
7
Caseargrewiin C
576.70
4.5
1
10
134.66
13
[(1S,4S,5R,6S)-4,5-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
596.70
5.8
0
6
77.54
6
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