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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
6,13-Dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
282.25
3.2
2
5
79.9
1
(E)-3-(3,4-Dihydroxyphenyl)propenoic acid [(2R)-3-methyl-2,5-dihydro-5-oxofuran-2-yl]methyl ester
290.27
1.4
2
6
93.06
5
methyl 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
306.40
5
0
3
43.37
12
2-Methylhexadecanoic acid
270.50
7.8
1
2
37.3
14
(3aR,3bS,5aS,9aS,9bR,11aR)-6,6,9a-trimethyl-1-oxo-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydronaphtho[2,1-e][2]benzofuran-3b-carbaldehyde
318.40
4.5
0
3
43.37
1
(3S,4aS,6aR,8S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-8,10-diol
322.50
3.4
2
3
49.69
1
2-Bromo-3-(3,4,5-trimethoxyphenyl)pyridine
324.17
3.4
0
4
40.58
4
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate
328.30
3.4
1
6
78.13
5
(E)-14-(1,3-benzodioxol-5-yl)tetradec-3-en-2-one
330.50
6.9
0
3
35.53
12
Jamtine
343.40
2.3
0
5
48
4
Uracil
112.09
-1.1
2
2
65.72
0
(1S,2S,6S,7S,9R,13S,15R,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,17-trimethyl-14-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
376.40
1.2
2
6
93.06
1
1-Phenylhept-5-ene-1,3-diyne
166.22
3.7
0
0
0
2
Justicidin F
378.30
3.8
0
7
72.45
2
6-Methoxydihydrochelerythrine
379.40
4.2
0
6
49.39
3
Mandshurin
384.30
-0.3
4
10
148.05
5
Rehmaionoside C
388.50
-0.6
5
8
136.68
5
[(1S,2R,5R,6R,7S)-2-[2-(furan-3-yl)ethyl]-2-hydroxy-7-methyl-3-methylidene-8-oxo-9-oxatricyclo[5.3.3.01,6]tridecan-5-yl] acetate
388.50
2.4
1
6
85.97
5
(-)-Semiglabrin
392.40
3.3
0
6
74.97
3
Henryin
392.50
1.4
3
6
104.06
3
Proctorione C
392.60
7.1
2
4
74.6
16
Dauricumine
397.80
-0.4
1
7
85.3
3
Mitraciliatine
398.50
3.4
1
5
63.79
6
[(3aS,4R,6aS,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate
398.80
0.6
2
7
105.59
4
3-Methoxytangeretin
402.40
3.2
0
8
85.59
7
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