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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
(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate
337.32
-1.5
6
7
143.24
4
2-Methylhexadecane
240.50
9.1
0
0
0
13
2-Methylpentadecane
226.44
8.6
0
0
0
12
1-[5-(Hydroxymethyl)furan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
261.27
0.6
4
5
85.86
2
2-Methyltetradecane
212.41
8.1
0
0
0
11
2-Methyltridecane
198.39
7.5
0
0
0
10
2-Methyldodecane
184.36
7
0
0
0
9
N1-Coumaroylspermidine
291.39
1
4
4
87.38
10
N1,N10-Bis(p-coumaroyl)spermidine
437.50
3
5
5
110.69
13
4-Methylhexanoic acid
130.18
2
1
2
37.3
4
3,3-Dichloroacrylic acid
140.95
1.5
1
2
37.3
1
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,6-dihydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
804.90
-2.7
12
17
296.75
11
(12E,14E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
542.90
15.4
0
0
0
19
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
536.90
13.6
0
0
0
10
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
536.90
13.5
0
0
0
10
(1S,2R,3R,5S,9S,10S,13R,14S,17S)-1,2,3,5,14-pentahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
512.60
-1.3
8
9
178.91
5
(3S,5S,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
448.60
2.8
4
5
97.99
5
(1S,4S,5R,9S,10S,13R,14S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-diol
308.50
2.7
3
3
60.69
1
(3S,4S,5R)-4-[(3R)-3-hydroxy-2-oxo-3-[(2S,3R,5R,9R,10R,12R,13S,14R,17S)-2,3,12,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
534.60
-0.2
5
9
161.59
4
(2R)-4-[(1R)-1-hydroxyethyl]-2-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one
518.60
0.4
5
8
144.52
3
(1S,2S,4R,5R,6R,9R,10R,12R,16R,18S,21R)-2,9,10,18-tetrahydroxy-4,6,12,17,17-pentamethylhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one
444.60
2.3
4
5
97.99
0
Baccatin IV
652.70
0.6
1
14
187.26
12
(1R,2R,5R,7S,10R,11R,14R,15R,16S,18S,20R,21R)-1,2,6,6,10,16,21-heptamethyl-17-methylidene-19-oxahexacyclo[12.9.0.02,11.05,10.015,21.018,20]tricosan-7-ol
440.70
7.7
1
2
32.76
0
[(2S,3R)-2-[(3S,5R,9R,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylheptan-3-yl] benzoate
552.70
4.9
3
6
104.06
8
(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.2.2.01,5]undecan-8-ol
222.37
4.1
1
1
20.23
0
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