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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
5,7-dihydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
422.50
5.5
4
6
111.13
6
(2R)-7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
300.30
2.5
1
5
64.99
3
4-[(2R)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
340.40
5
2
4
58.92
4
(2R)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
476.60
8.2
3
5
86.99
7
5-Hydroxysophoranone
476.60
8.2
3
5
86.99
7
(1S,13R)-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaene-1,17-diol
338.40
2.5
2
5
68.15
0
CID 124356
526.50
0.1
1
10
137.96
0
(3R,6R)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
238.37
2.5
1
2
29.46
1
(5R)-4,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-3-carbaldehyde
242.27
2.6
0
3
47.28
1
(2S)-6-(3,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
438.50
4.6
4
7
120.36
4
[(4S,6R)-6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
352.40
3
1
6
82.06
12
[(4R,6S)-6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
352.40
3
1
6
82.06
12
[(3S,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate
380.50
4.8
1
6
82.06
14
3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
114.10
0.5
1
3
46.53
0
1,1,3,3-Tetrachloroacetone
195.90
2.6
0
1
17.07
2
Glucogallin
332.26
-1.3
6
10
166.14
4
Methyl 4-(acetyloxy)-15-[3-formyl-7-(methoxycarbonyl)-5-(2-oxobutyl)-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indol-7-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
825.00
3.1
2
12
168.01
12
(5S,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
472.70
4.8
2
4
70.06
4
(2S,3S,10S)-2-hydroxy-3-[(1S)-1-hydroxyheptyl]-10-[(R)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
518.50
2
3
11
173.73
8
(2R)-N-[(2S)-1-[(1R,9R,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
630.70
4.2
3
8
126.79
9
[(2R)-2,3-dihydroxypropyl] (9Z,12E)-octadeca-9,12-dienoate
354.50
5.8
2
4
66.76
18
(E)-4-isothiocyanato-1-[(S)-methylsulfinyl]but-1-ene
175.30
1.5
0
4
80.73
4
[(1R,10S,12R,13E,14R,16S,17S,18R)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
512.60
-0.2
4
10
141.28
5
21-Deoxyvomilenine
334.40
1.9
0
4
41.9
2
(1R,2R,4S,7R,8S,11R,12R,18R)-7-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
486.50
1.8
1
9
128.73
1
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