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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
[7,12,16-Trimethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
456.70
10.4
0
2
26.3
7
[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
456.70
10.4
0
2
26.3
7
[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-11-(acetyloxymethyl)-5,6-dihydroxy-3,7,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
472.60
2
2
7
110.13
6
(3R,3aR,5aR,8R,9bS)-3a,8-dihydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
266.33
0.5
2
4
66.76
0
(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11R,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
4
5
6
118.22
1
1beta-Hydroxyeuscaphic acid
504.70
4
5
6
118.22
1
(1S,4R,4aS,8aS)-1,4-dihydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
266.33
1.7
2
4
74.6
2
Obacunone 17-O-beta-D-glucoside
634.70
0.8
5
13
205.72
6
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
570.80
7.8
0
6
78.9
6
2,3,23-Triacetylsericic acid
630.80
5.7
2
9
136.43
8
Methyl 10,11-diacetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylate
626.80
6.6
0
8
105.2
9
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
442.70
8.6
2
2
40.46
5
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
442.70
8.6
2
2
40.46
5
(1S,2S,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
444.70
8.3
2
2
40.46
0
[(2S,3R,4S,5S,6R)-2-[(3aR,7R,7aR)-7-hydroxy-2,2,5,7-tetramethyl-1-oxospiro[3,7a-dihydroindene-6,1'-cyclopropane]-3a-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
454.50
-0.4
4
9
142.75
5
(5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,6,7,7a,9,10,11,11b,12,13,13a-dodecahydrocyclopenta[a]chrysene-7,9-diol
440.70
7.2
2
2
40.46
1
4,5-Epoxy-11(13)-guaien-12,8-olide
248.32
2.4
0
3
38.83
0
(1S,3R,7S,9S,10S,13R)-9,13-dimethyl-4-methylidene-6,14-dioxatetracyclo[8.4.0.01,13.03,7]tetradecan-5-one
248.32
2.4
0
3
38.83
0
Asacoumarin A
398.50
4.9
2
5
79.9
9
(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
218.33
3.2
0
1
17.07
0
(1R,2S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
218.33
3.2
0
1
17.07
0
(1R,2R,5S,6S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-ol
220.35
3.5
1
1
20.23
0
(1R,2S,5S,6S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-ol
220.35
3.5
1
1
20.23
0
Sanguinarine pseudobase
349.30
3.6
1
6
60.39
0
23-Methoxy-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
347.30
4.6
0
6
59.04
1
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