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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
(+)-Epoxysuberosin
260.28
2.5
0
4
51.97
3
(2E)-N-Methyl-3-phenyl-N-(2-phenylethyl)-2-propenamide
265.30
3.8
0
1
20.31
5
Koeniginequinone B
271.27
2.2
1
4
68.39
2
(4aS,10bR)-Noroxomaritidine
271.31
1.4
1
4
49.77
1
(1R,3S,4R,7S)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
279.30
2.5
0
2
29.54
2
Maritidine
287.35
1.8
1
4
41.93
2
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
299.32
1.8
4
4
89.79
5
7-(2-Hydroxy-3-methoxy-3-methylbutoxy)-6-methoxychromen-2-one
308.33
1.7
1
6
78.13
6
O-Methyl sugiyl ether
314.50
5.9
0
2
26.3
2
Salvianen
319.40
5.5
0
3
39.17
0
Nerylgeraniol-18-oic acid
320.50
5.3
2
3
57.53
11
Labdanic Acid
324.50
5.2
2
3
57.53
5
1,6-Dihydroxy-2,3,4-trimethoxy-8-methylxanthen-9-one
332.30
3.1
2
7
98.36
3
methyl (1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
338.40
3.5
1
3
45.33
3
Discretinine
341.40
2.9
1
5
51.16
3
4,6,3',4'-Tetramethoxyaurone
342.30
3.5
0
6
63.22
5
Offwlzvjuhobdo-jorpyxkzsa-
348.40
0.9
1
6
89.9
1
1-(4-Hydroxy-3-methoxyphenyl)pentadecan-3-one
348.50
6.5
1
3
46.53
15
3',5-Dihydroxy-2-(4-hydroxybenzyl)3-methoxybibenzyl
350.40
5
3
4
69.92
6
Eryvarin K
354.40
4.2
2
5
68.15
3
4beta-(2-Aminoethylthio)catechin
365.40
-0.4
6
8
161.7
4
Neovibsanin G
398.50
4.2
0
4
52.6
7
[(E)-2-[(1S,5S,7R,8S,11S)-8-methyl-5-(2-oxopropyl)-11-prop-1-en-2-yl-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
398.50
4.2
0
4
52.6
7
Nitidanin
404.40
1.9
3
8
106.84
7
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E,2S)-4-[(1R,2R,4R)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxane-3,4,5-triol
406.50
-1.5
7
9
160.07
5
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