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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
(-)-Ambroxide
236.39
4.7
0
1
9.23
0
oxyphyllol C
238.37
3.1
2
2
40.46
1
(3R,4aS,8aR)-3-(Furan-3-yl)-5,5-dimethyloctahydro-1H-isochromen-1-one
248.32
3.5
0
3
39.44
1
Ethyl hept-4-enoate
156.22
2.2
0
2
26.3
6
Dendocarbin C
252.35
2
2
3
49.69
0
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
268.35
3.9
1
2
32.34
5
7-Methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-dione
304.30
3.3
0
4
56.51
2
(2S,4bS,8R,9S)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-9-ol
304.50
3.9
2
2
40.46
2
6,14,15-Trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
309.30
3.2
1
4
56.79
3
(+)-Licarin
324.40
4.6
0
4
36.92
3
(4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-one
326.40
0.8
1
5
65.43
1
(6aS)-2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
327.40
2.6
2
5
59.95
3
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
332.40
3.5
0
5
69.04
3
1-O-Octadecyl-sn-glycerol
344.60
7.6
2
3
49.69
20
(1R,5R,6S,8S,9S,12S,13S)-3-amino-5,8,12,13-tetrahydroxy-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridec-3-en-11-one
287.27
-3.6
6
7
157.63
0
Butyl 3-phenylprop-2-enoate
204.26
3.9
0
2
26.3
6
6-(8''Z,11''Z-heptadecadienyl)-salicylicacid
372.50
8.9
2
3
57.53
15
Pisumionoside
404.50
-1.6
6
9
156.91
5
1,1-Diethoxynonane
216.36
4.8
0
2
18.46
11
(3S,4aR,6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,14,14a-dodecahydro-1H-picen-3-ol
410.70
7.5
1
1
20.23
0
3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-oxo-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
416.50
5.1
2
5
83.83
6
(3R)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
422.50
6.2
2
5
75.99
6
12alpha-Hydroxystigmast-4-en-3-one
428.70
8
1
2
37.3
6
[(1aR,2'R,3aS,4S,5S,5'R,6R,7aR,7bS)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate
432.50
3.2
0
7
87.5
5
[(1R,2R,3R,5S,8R,9R,10R)-10-acetyloxy-5,9-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
434.50
1.2
2
7
110.13
4
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