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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
Clausenidinaric acid
346.40
3.7
3
6
104.06
4
Hemistepsin
346.40
0.6
2
6
93.06
4
[(4S,4aS,5R,6S,8aR,9aR)-6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate
348.40
2.8
1
5
72.83
3
6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3H-benzo[f][1]benzofuran-2-one
352.30
3.5
2
6
85.22
3
methyl (Z)-2-[(3E)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate
352.40
3
2
4
65.56
3
Cnidicin
354.40
5.3
0
5
61.81
6
Terphenyllin
338.40
4.1
3
5
79.15
4
3-Methylbutyl 6-methoxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
354.40
5.6
0
4
44.76
6
(2S,3R,4S,5S,6R)-2-[2-hydroxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
358.34
-1.6
6
9
149.07
6
CID 10044294
364.34
-3.3
7
10
169.3
3
Deacetylforskolin
368.50
0.4
4
6
107.22
1
Methyl (6aS)-4,5,6a,7-tetrahydro-1,2,10-trimethoxy-6H-dibenzo[de,g]quinoline-6-carboxylate
369.40
3.3
0
5
57.23
4
(-)-3,4-Dimethoxy-3,4-desmethylenedioxycubebin
372.40
3.5
1
6
66.38
6
Thiophene A
196.27
4
0
1
28.24
3
(2R,3R,4S,5R)-2-(6-((3-Hydroxybenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
373.40
0.8
5
9
145.78
5
3-Hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
388.40
3.9
5
7
127.45
7
Tetradec-6-en-8,10,12-triyn-3-one
198.26
2.9
0
1
17.07
6
vaccihein A
378.30
2
3
9
131.75
8
Echitamine chloride
385.50
0.7
3
5
78.79
3
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
386.40
3.4
1
7
83.45
6
5,8,9-Trihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
394.40
5.3
3
6
100.13
2
Kanzonol X
394.50
6.5
3
4
69.92
5
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]benzene-1,3-diol
398.50
5.2
5
5
101.15
8
Prevezol C
401.40
4.1
3
3
60.69
4
(1S,2S,3R,6S,7S,9R,13R,17S)-3,4,15-trimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-11,16-dione
404.50
2.4
0
6
71.06
3
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