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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
12-Deuterio-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
349.40
1
1
5
81.42
1
Pongachalcone II
352.40
4.4
2
5
75.99
4
methyl (2R,3R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
353.32
0.1
2
9
135.31
11
4-O-Methylgalactinol
356.32
-4.8
8
11
189.53
4
(1R,5R,6R,7R)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
356.40
3.4
0
5
61.83
6
[(1R)-1-[(2S,3S,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-methoxy-2-oxoethyl] 3,4,5-trihydroxybenzoate
358.25
-0.8
5
11
180.05
6
(1S,7aS,11aS)-1,5-dihydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-1,7,7a,9,10,11-hexahydronaphtho[1,2-e][2]benzofuran-3,6-dione
360.40
3
3
6
104.06
1
2-[(3aS,6aS,7S,8S,10aS)-7-(carboxymethyl)-2,7-dimethyl-5-oxo-3a,6,6a,8,9,10-hexahydro-1H-cyclopenta[j]isochromen-8-yl]-2-methylpropanoic acid
364.40
2.3
2
6
100.9
4
methyl (1R,9S,11S,14Z,15S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
366.40
1.6
1
6
67.87
3
2,4,5-Trimethylbenzoic acid
164.20
2.5
1
2
37.3
1
cedronolactone C
380.40
-0.4
3
8
122.52
1
6-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
342.30
-5.3
9
11
200.53
3
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, (1S,4S,7R)-
204.35
4.6
0
0
0
1
3-Hydroxy-5,6,7,8,4'-pentamethoxyflavone
388.40
2.9
1
8
96.59
6
9-Hydroxy-4-[(7-methoxy-2-oxochromen-8-yl)methyl]furo[3,2-g]chromen-7-one
390.30
3.8
1
7
103.02
3
[(3aS,4S,5S,6Z,10E,11aR)-5-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
404.50
1.8
1
7
99.13
6
4,8,9-Trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
412.40
4.4
4
7
120.36
3
Stigmast-5-ene-3,7-dione
426.70
7.9
0
2
34.14
6
beta-CHLOROGENIN
432.60
5.1
2
4
58.92
0
20alpha-Hydroxytingenone
436.60
4.5
2
4
74.6
0
[(E)-2-[(1S,2S,7S)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
448.50
3
2
7
110.13
11
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
458.70
8
2
3
49.69
5
Arabinothalictoside
461.40
-2.3
6
12
201.44
7
Chamazulene
184.28
4.4
0
0
0
1
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3-hydroxy-4,5-dimethoxybenzoate
470.40
2.2
5
10
155.14
6
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