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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
7-Chloro-1,2,3-trihydroxy-6-methoxyxanthen-9-one
308.67
3
3
6
100.13
1
(2R,6S)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
315.40
0.2
1
5
51.16
1
CID 11809239
316.30
-2.1
5
8
136.68
5
2',3'-DI-O-Acetyl-5'-deoxy-5-fluorocytidine
329.28
-0.7
1
7
122.74
5
(2S,3R,4S,5S,6R)-2-[(1S,2S,5R)-2-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
350.40
-1.4
6
8
139.84
4
(+/-)-Leachianone G
356.40
4
4
6
107.22
3
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxane-3,4,5-triol
360.36
-0.8
4
9
127.07
7
Syringyl propanol
226.27
2
2
4
58.92
5
Cycloaltilisin 7
406.50
5.6
2
5
75.99
4
7-Methyloctan-4-ol
144.25
3
1
1
20.23
5
14,15-Dihydroclerodin
436.50
3
0
7
83.59
6
Isovouacapenol B
438.60
4.7
2
5
79.9
3
(3S,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,4,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,9-diol
442.70
7.5
2
2
40.46
4
Dendromoniliside C
444.50
-1
5
10
158.44
4
NCGC00384849-01_C21H34O10_2H-Cyclohepta[b]furan-2-one, 4-acetyl-6-[1-(beta-D-glucopyranosyloxy)-1-methylethyl]octahydro-8a-(hydroxymethyl)-, (3aS,4R,6R,8aR)-
446.50
-1.6
5
10
162.98
6
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13S,14S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,15,16,18-tetrol
464.60
3.1
4
6
99.38
0
24-Epicastasterone
464.70
4.7
4
5
97.99
5
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
480.50
0.3
6
11
167.53
6
(3R)-12-[(2R,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
491.60
-0.7
7
10
168.94
15
[(1S,2S,5S,8R,9R,10R)-1,2,9,10-tetrahydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
496.60
1.7
4
7
124.29
4
[(1S,3R,5S,7R,8R,9R,10S,13S,17R)-1-acetyloxy-17-(furan-3-yl)-3-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
498.60
5.4
1
6
85.97
5
(2S,3S,7R,8S)-3-(3,5-dihydroxyphenyl)-2,7-bis(4-hydroxyphenyl)-3,7,8,9-tetrahydro-2H-furo[2,3-f]chromene-4,8-diol
500.50
4
6
8
139.84
3
7-[(E,4R,6R)-4,7-dihydroxy-3,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-2-enoxy]chromen-2-one
510.50
0.2
6
11
179.28
10
(2S)-4-[(13R)-13-Hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
564.90
11.8
2
5
75.99
26
(5S)-3-[(13R)-13-Hydroxy-8-oxo-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
578.90
9.4
2
6
93.06
26
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