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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
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate
554.50
1.6
5
11
196.1
7
4-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyoxan-3-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
574.50
1.1
4
13
191.4
9
4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxychromeno[4,3-b]chromene-6,7-dione
588.50
-0.4
6
14
218.72
5
(2S)-4-[(10S,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-10,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
638.90
8
4
8
125.68
25
[(1R,2S,3S,5S,8R,9R,10R,11S,13R,16S)-5,16-diacetyloxy-10-(acetyloxymethyl)-8,9,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-2-yl] benzoate
646.70
-0.4
4
13
195.35
11
2-[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
678.80
2.9
5
11
164.37
5
9-Heptadecanone
254.50
7
0
1
17.07
14
[(1S,2R,4S,5R,6S,7R,8S,9R,12R)-8,12-diacetyloxy-5,7-dibenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] pyridine-3-carboxylate
699.70
5.6
0
12
153.62
13
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
767.00
2.8
8
13
215.83
6
methyl (5R,6R,7R,8S)-7-(hydroxymethyl)-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate
770.70
-2
8
19
271.21
13
Conophyllinine
812.90
2.7
6
15
191.75
8
Koqblqstxbjtlt-wmzlmidfsa-
1073.20
2.1
13
22
361.74
13
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1193.30
-2.1
15
26
404.98
17
Esculeoside A
1270.40
-3.9
17
30
463.54
17
Cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide
1355.40
9
21
498.52
26
(Methylthio)acetaldehyde
90.15
0.4
0
2
42.37
2
2,3,3-trideuterio-2,3-dihydroxy(1,2-13C2)propanoic acid
111.08
-1.5
3
4
77.76
2
(2Z)-2,4-dimethyl-2-pentenal
112.17
1.7
0
1
17.07
2
3-Phenylpropyl 3-phenylpropionate
268.30
4.7
0
2
26.3
8
Sabinene
136.23
3.1
0
0
0
1
(-)-alpha-Fenchene
136.23
3.1
0
0
0
0
12-Tricosanone
338.60
10.3
0
1
17.07
20
D-Olivose
148.16
-1.1
3
4
69.92
0
Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1S,5R,6R)-
152.23
1.7
1
1
20.23
0
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
152.23
2.5
0
1
17.07
1
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