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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
(1R,12R)-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
325.40
2.8
1
5
51.16
1
(3I(2),13I+/-)-3-Methoxy-13-methyl-27-norolean-14-ene
440.70
9.8
0
1
9.23
1
Furanoelemene
216.32
4.6
0
1
13.14
2
Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-
216.32
4.6
0
1
13.14
2
1-[[4-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
610.70
6.4
2
8
83.86
9
Grisabine
610.70
6.4
2
8
83.86
9
(3R,4S,5R)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3,5-dimethyloxolan-2-one
520.70
1
5
8
144.52
4
Cyclamiretin A
472.70
5.2
2
4
66.76
1
Cycloalliin
177.22
-3.6
2
5
85.61
1
(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
426.70
9.8
1
1
20.23
4
Cycloartenone
424.70
9.5
0
1
17.07
4
(1S,3R,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
424.70
9.5
0
1
17.07
4
Buxtamine
371.60
4.2
2
3
49.33
2
Lespedin;Lespenephryl
578.50
-0.1
8
14
228.97
5
5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
578.50
-0.1
8
14
228.97
5
Kammogenin
444.60
3
2
5
75.99
0
Kanjone
292.30
3.6
0
4
52.58
2
Kanugin
356.30
3.1
0
7
76.36
4
5-Hydroxy-2-(hydroxymethyl)-8-methyl-6,9-dihydropyrano[3,2-h][1]benzoxepin-4-one
274.27
1.4
2
5
79.9
1
11-Deoxoglycyrrhetinic acid
456.70
7.5
2
3
57.53
1
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
456.70
7.5
2
3
57.53
1
18-Deoxysagittarol
290.50
5.6
1
1
20.23
4
(3S)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
290.50
5.6
1
1
20.23
4
(E)-5-[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
304.50
6.2
1
2
37.3
4
(E)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pent-2-enoic acid
304.50
6.3
1
2
37.3
4
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