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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
(1R,2S,10S,11S,13S,15R)-6-oxido-17-oxa-6-azoniapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol
279.37
1.2
1
3
52.52
0
1H-Cycloprop[e]azulene
140.18
1.9
0
0
0
0
Sideritoflavone
360.30
2.6
3
8
118.59
4
(1aR,3S,8bS)-3-(2-hydroxypropan-2-yl)-6,8b-dimethyl-2,3-dihydro-1aH-oxireno[2,3-d][1]benzoxepin-7-ol
264.32
1.7
2
4
62.22
1
17,29-Dihydroxy-6,28,35-trimethoxy-23-methyl-15-oxa-8,23-diazaheptacyclo[20.6.2.22,5.211,14.116,20.04,9.026,30]pentatriaconta-1(28),2,4,6,11,13,16,18,20(31),26,29,32,34-tridecaene-8-carbaldehyde
620.70
5.4
2
8
100.93
3
Neopetasol
234.33
2.8
1
2
37.3
1
4-Hydroxy-2',4'-dimethoxydihydrochalcone
286.32
3.1
1
4
55.76
6
(2S)-7-hydroxy-8-methoxy-2-phenyl-2,3-dihydrochromen-4-one
270.28
2.5
1
4
55.76
2
6-(4-Hydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde
242.23
2.5
1
4
55.76
2
Guibourtinidol-7-methyl ether
272.29
2.5
2
4
58.92
2
Clausine M
241.24
2.9
2
3
62.32
2
1,7-Dimethoxy-6-methyl-9H-carbazole
241.28
3.7
1
2
34.25
2
7-hydroxy-1-methoxy-9H-carbazole-3-carbaldehyde
241.24
2.5
2
3
62.32
2
Clausine R
257.24
2.5
3
4
82.55
2
2-hydroxy-1-(2-hydroxy-3-methylbut-3-enyl)-9H-carbazole-3-carbaldehyde
295.30
3.9
3
3
73.32
4
1-(2,3-dihydroxy-3-methylbutyl)-2,7-dihydroxy-9H-carbazole-3-carbaldehyde
329.30
2.3
5
5
113.78
4
(1R,5R,8R)-8-[(5S,8S,10R,13S,14S,17R)-5-hydroxy-10,13-dimethyl-1-oxo-6,7,8,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
452.60
3.7
1
5
72.83
1
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
276.33
2
3
3
78.43
4
(3aS,6S,6aR,7R,9S,9aS,9bR)-6a,7,9-trihydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-2-one
282.33
0.6
3
5
86.99
0
coumaroyl(3-OMe)(-6)Glc(b)-O-Ph(2-CO2H)
476.40
1
5
11
172.21
9
(1S,2S,6S,8R,10R,11S,14R,15R)-1,7,7,11,15-pentamethyl-14-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[8.7.0.02,6.06,8.011,15]heptadecane-5,9-dione
452.70
6.5
0
3
51.21
4
7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
412.50
2.7
0
6
60.47
5
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methyl-3-[[(1S,2S)-2-methyl-5-oxocyclopentyl]methyl]-6-oxoheptan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate
546.60
2.5
3
9
139.59
13
(3S,6aS,12aR,12bR)-3-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
405.50
4.5
1
5
66.84
3
(7aR)-7a-hydroxy-2-prop-2-enyl-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
212.27
0.3
1
3
75.87
2
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