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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
Alstonidine
380.40
2.5
1
5
73.58
5
methyl (15S,16R,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
348.40
2.6
0
4
53.35
2
1-(6-Methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl)ethanone
366.50
2.1
0
4
43.7
2
Alvaxanthone
396.40
6
4
6
111.13
4
((R)-2,3,5,7A-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-isopropylbutanoate
283.36
0.5
2
5
70
6
(1S,2S,4S,6R,7S,9R,13S,14R,15S,17S)-4,15-dihydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-3,11,16-trione
364.40
1.4
2
6
100.9
0
[2-[(4-Ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
602.50
1.3
7
14
221.9
8
(1S,17R,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol
287.31
0
2
5
62.16
0
(1R,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
320.50
3
2
3
57.53
1
Pitheduloside I
488.70
5.5
4
5
97.99
1
Acacic Acid
488.70
5.5
4
5
97.99
1
1-(2,4a,8a-Trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl)ethane-1,2-diol
306.50
4.8
2
2
40.46
2
(1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
185.22
-1.8
2
4
60.77
1
28-Oxoallobetulin
456.70
7.9
1
3
46.53
0
4,4,6,9a-tetramethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
222.37
3.9
1
1
20.23
0
(4aR,9R,9aS)-4,4,6,9a-tetramethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
222.37
3.9
1
1
20.23
0
4-[(3S,5S,10R,13R,14S,17S)-5,14-Dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-YL]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-YL]-5H-furan-2-one
534.70
1.2
3
8
114.68
4
Allosecurinine
217.26
1.1
0
3
29.54
0
3-Epidigitoxigenin
374.50
2.6
2
4
66.76
1
beta-D-Psicofuranose
180.16
-2.3
5
6
110.38
2
Amitenone
837.10
14.5
4
8
149.2
24
alpha-Muurolene
204.35
4.1
0
0
0
1
alpha-Cadinene, (+)-
204.35
4.1
0
0
0
1
(+)-alpha-Muurolene
204.35
4.1
0
0
0
1
(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
204.35
4.1
0
0
0
1
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