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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
3-Methyloctadecane
268.50
10.2
0
0
0
15
Ergosta-5,7,22,24(28)-tetraen-3beta-ol
394.60
7.7
1
1
20.23
4
(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5R,8R)-3-hydroxy-8-[(E,3R)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
404.50
-1.7
6
9
149.07
5
[(4aR,4bR,7R,8aR,9R,10aR)-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-2,5,8-trioxo-6,9,10,10a-tetrahydro-4bH-phenanthren-3-yl] acetate
404.50
1.2
2
7
117.97
3
(1R,2S,4S,6R,7R,8S)-6-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
404.50
-0.1
3
7
100.49
4
[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] 4-hydroxybenzoate
420.40
1.4
5
9
145.91
8
[(1R,2R,3R,4R,6S,8S,9S,10S,11S,13S)-2-acetyloxy-3,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
450.50
1.1
3
8
130.36
4
(6aS,6bS,8aR,9S,11R,12aS,14aS)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-9,11,12,12a,13,14-hexahydro-8H-picene-2,7,10-trione
450.60
3.2
2
5
91.67
0
Gymnasterkoreaside B
458.50
-2.5
7
11
178.53
9
2,2,3-Trimethylcyclopent-3-enecarboxylic acid
154.21
1.7
1
2
37.3
1
Paeonol
166.17
2
1
3
46.53
2
Withaperuvin C
486.60
1.4
4
7
124.29
2
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methyl-5-propan-2-yl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
490.50
-1.1
8
12
198.76
7
3-(4-Methylcyclohex-3-en-1-yl)butanal
166.26
2.3
0
1
17.07
3
Lyaloside
526.50
1.3
5
10
163.59
8
salasol A
532.60
2.6
1
10
134.66
10
[(2R,3S,4S,5S)-5-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
560.50
-2
7
15
231.13
12
2-[4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
562.50
0.2
6
13
197.74
6
muricin E
568.80
7.3
4
7
116.45
24
Cis-Corossolone
578.90
9.4
2
6
93.06
26
(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
594.60
-0.5
8
14
225.06
7
Betulin palmitate
681.10
16.2
1
3
46.53
18
gamma-Lumicolchicine
399.40
1.3
1
6
83.09
5
Cimiracemoside M
704.90
4.8
3
11
161.35
10
(1R,3S,5R,6S,7S,8R,10S,12S,13R,14R,15R,27S,29R,31R,32R,33S)-6,7,13,14,32,33-hexahydroxy-5-(hydroxymethyl)-12,31-dimethyl-27-pentyl-2,4,9,11,16,28,30-heptaoxatetracyclo[27.4.0.03,8.010,15]tritriacontan-17-one
708.80
2.2
7
15
223.29
5
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