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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
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]oxane-2-carboxylic acid
520.40
1.1
6
14
214.81
5
[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicen-2-yl]methyl acetate
524.80
8.1
0
4
52.6
5
3-O-deacetylorthosiphol U
572.60
3.1
3
10
156.66
8
Corossoline
580.90
9.9
3
6
96.22
26
2-[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-4,7,8,10,13-pentaacetyloxy-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-2-yl]propan-2-yl benzoate
714.80
1.9
1
14
187.26
14
[(1R,2S,3S,4S,5R,6R,7R,8S,9S)-3,4-diacetyloxy-7,8-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate
715.70
4.4
1
13
173.85
13
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
742.60
-2.6
12
20
328.35
10
Bacopaside V
767.00
3
7
13
196.99
6
1-O-Caffeoyl-3-O-galloyl-4,6-(S)-hexahydroxydiphen
796.60
2
12
21
357.19
7
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-hydroxy-3-methoxybenzoate
1375.50
-1.9
15
31
474.65
24
(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one
1399.50
-6.3
18
33
518.27
19
Qtqtwoleyzgysq-qlsgohfrsa-
1457.30
-0.4
14
35
516.25
32
(3R)-3-methyl(413C)butanoic acid
103.12
1.2
1
2
37.3
2
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
117.15
-0.8
3
3
52.49
1
(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
127.14
-2.4
2
3
49.33
1
(2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
163.17
-1.8
5
5
92.95
2
(2E,6E)-2,6-dimethylocta-2,6-dienedial
166.22
1.7
0
2
34.14
5
(4S,4aR)-4,7-dimethyl-4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-1-one
166.22
1.8
0
2
26.3
0
Norpandamarilactonine B
167.20
0.8
1
3
38.33
1
(2s,4r)-4-Hydroxy-4-methyl-glutamic acid
177.16
-3.9
4
6
120.85
4
N-Methylphthalimide
161.16
1.3
0
2
37.38
0
1-Methylpentyl acetate
144.21
2.3
0
2
26.3
5
3-Phenyl-1-(pyrrol-1-yl)propan-1-one
199.25
2.4
0
1
22
3
(1S,2S,4R)-4-[(2S)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
204.26
-0.8
4
4
80.92
2
Palustrol
222.37
3.9
1
1
20.23
0
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