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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
Daturaolone
440.70
7.5
1
2
37.3
0
3,4,5-Trimethylbenzaldehyde
148.20
2.5
0
1
17.07
1
5,6,7,8-Tetramethoxyflavone
342.30
3.1
0
6
67.13
5
7-Oxodihydrokarounidiol
456.70
6.3
2
3
57.53
1
4-Hydroxypyridine
95.10
-1.3
1
2
32.86
0
Propyl hexanoate
158.24
2.9
0
2
26.3
7
Butyl hexanoate
172.26
3.3
0
2
26.3
8
L-Cytidine
243.22
-2.1
4
5
130.83
2
Adipic acid monoethyl ester
174.19
0.6
1
4
63.6
7
4-Methyl-1-pentanol
102.17
1.6
1
1
20.23
3
Hexenyl acetate
142.20
2.4
0
2
26.3
5
2-Hexanol
102.17
1.8
1
1
20.23
3
3-Cyclohexene-1-methanol, (R)-
112.17
1.3
1
1
20.23
1
(S)-3-cyclohexene-1-methanol
112.17
1.3
1
1
20.23
1
Vaginidin
346.40
2.6
1
6
85.97
5
Atidine
359.50
1.6
2
4
60.77
2
CID 12299863
299.40
2.8
1
2
32.59
0
(E)-10,11-Dihydro-alpha-atlantone
218.33
4.1
0
1
17.07
3
(5Z)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,5-dien-4-one
218.33
4.1
0
1
17.07
3
alpha-Atlantone
218.33
4.1
0
1
17.07
3
7,15-Dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
320.40
2.2
3
4
77.76
1
(1R,4Z,6R,7S,17R)-4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
335.40
1.1
1
6
76.07
0
[(3aR,4R,6S,6aR,9aR,9bR)-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
376.40
0
2
7
105.59
5
Bakkenolide D
408.50
2.9
0
7
104.2
6
(1S,9S,10R,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
260.33
0.6
1
3
45.47
0
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