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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
Bisandrographolide A
664.90
6.1
4
8
133.52
8
Affinisine
308.40
2
1
2
28.4
1
Isoflavone, 2',4',5-trihydroxy-7-methoxy-
302.28
2.4
3
6
96.22
2
acerogenin A
298.40
4.4
2
3
49.69
0
3-Hydroxy-5-methoxybiphenyl
200.23
3.2
1
2
29.46
2
(4S,5S,7E,10R,11R)-5,8-dihydroxy-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
360.40
3
2
6
100.9
2
(1R,2R,5S,9S,17S)-5-hydroxy-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
280.36
0.5
1
3
63.6
0
(2R)-4-methyl-2-[[(2S)-1-methylpiperidin-2-yl]methyl]-2,3-dihydropyran-6-one
223.31
2
0
3
29.54
2
4-((4'-(Aminomethyl)-[1,1'-biphenyl]-3-yl)oxy)pyrimidine-2-carbonitrile
302.30
2.6
1
5
84.82
4
Verproside
498.40
-1.7
7
13
208.13
7
Verminoside
524.50
-1.3
7
13
208.13
8
(3beta)-3,27-Dihydroxyolean-12-en-28-oic acid
472.70
6.1
3
4
77.76
2
Isovanillyl Catapol
512.50
-1.4
6
13
197.13
8
Minecoside
538.50
-0.9
6
13
197.13
9
(2E,8Z)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
198.22
2.2
1
2
33.37
3
2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
326.50
6.1
0
2
34.14
8
Avenanthramide G
299.28
2.6
4
5
106.86
4
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
866.80
3.3
15
18
331.14
5
[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-acetyloxy-4-(3-hydroxy-2-methylbutanoyl)oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3R,5S,6R,7R,8R,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
1341.60
6.7
10
28
399.8
30
boeravinone F
326.26
2.7
3
7
121.11
0
5,7,4'-Trimethoxy-4-phenylcoumarin
312.30
3
0
5
57.9
4
(1S,11S,12S,13R)-11-hydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.01,15.02,10.04,8]nonadeca-2,4(8),9,15,17-pentaen-19-one
400.40
2.2
1
7
83.45
3
(3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
204.35
5.3
0
0
0
3
Kadsuphilin A
546.60
6.7
0
8
81.68
8
Gedunin
482.60
4.2
0
7
95.34
3
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