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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
Euchrenone b8
420.50
4.8
3
6
100.13
4
Euchrenone b7
422.50
4.5
3
6
100.13
4
Euchrenone b9
420.50
4.8
3
6
100.13
4
6-Methoxymaackiain
314.29
2.5
1
6
66.38
1
Euchrenone a8
422.50
6
2
5
75.99
6
[(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-Tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] (2S)-2-methylbutanoate
939.10
3.1
8
20
288.28
11
(11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
873.00
0.3
11
20
313.44
23
2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]-3,4,5-trihydroxybenzoic acid
954.70
1.6
16
27
464.41
9
Methyl 1-(methylsulfinyl)propyl disulfide
184.40
1
0
4
86.88
4
1-(Methylsulfinyl)propyl propyl disulfide
212.40
1.9
0
4
86.88
6
1-(Methylsulfinyl)propyl 1-propenyl disulfide
210.40
1.8
0
4
86.88
5
(2S,4R)-4-Methoxy-1-methylpyrrolidine-2-carboxylic acid
159.18
-1.7
1
3
53.8
1
5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
386.40
2.9
0
8
85.59
5
3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
400.30
2.9
0
9
94.82
4
(4S,5S)-4-(4-hydroxy-3-methoxyphenyl)-4-(1H-imidazol-2-yl)trithian-5-ol
342.50
1.3
3
7
154.27
3
Epi-Cryptoacetalide
286.40
4.3
0
3
35.53
0
(3aS,5aS,9aR,9bS)-3a,7,9b-trimethyl-2,3,5a,8,9,9a-hexahydro-1H-cyclopenta[c]chromen-4-one
234.33
3.3
0
2
26.3
0
(3aS,5aS,9aR,9bS)-3a-(hydroxymethyl)-7,9b-dimethyl-2,3,5a,8,9,9a-hexahydro-1H-cyclopenta[c]chromen-4-one
250.33
2.7
1
3
46.53
1
[(2S,3aS,7aR)-2-(furan-3-yl)-4,4-dimethyl-2,3,3a,5,6,7-hexahydro-1-benzofuran-7a-yl]methanol
250.33
2.5
1
3
42.6
2
[5,12-Diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
632.70
3.3
1
12
160.96
14
[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
694.80
5
1
12
160.96
15
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,9-dimethyl-14-methylidene-15-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
642.70
0.5
8
13
215.83
7
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
498.60
1.6
6
9
156.91
5
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, [1R-(1I+/-,4aI(2),4bI+/-,8aI+/-,10aI+/-)]-
334.40
3.1
2
4
74.6
2
(4aR,7R,8R,8aS)-4-(hydroxymethyl)-4a,7,8-trimethyl-8-(3-methylidenepent-4-enyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
302.50
4.8
1
2
37.3
5
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