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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
14beta,17alpha-Pregn-5-en-20-one, 3beta,8,12beta,14-tetrahydroxy-
364.50
0.4
4
5
97.99
1
methyl (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
356.32
-1.1
5
9
145.91
6
methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
340.32
0.4
4
8
125.68
6
Linocinnamarin
340.32
0.4
4
8
125.68
6
(3S,5S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
444.70
8.7
2
2
40.46
4
(R)-(-)-Littorine
289.40
2.7
1
4
49.77
5
methyl 7-methyl-6-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
388.40
-1.7
4
10
151.98
5
N-methyl-9-oxa-3-azatricyclo[3.3.1.03,7]nonan-1-amine
154.21
-0.2
1
3
24.5
1
(7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
196.24
1
1
3
46.53
0
Isocalendin
196.24
1
1
3
46.53
0
Alpha-Longipinene
204.35
4.6
0
0
0
0
3-Phenyl-2-propyn-1-ol
132.16
1.4
1
1
20.23
1
Lycodoline
263.37
1.4
1
3
40.54
0
(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
289.40
2
1
4
41.93
1
Lysergene
236.31
3
1
1
19.03
0
[(1R,14R,16S,20S,21S,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
579.70
5.1
0
9
100.6
8
1H-Cyclopropa[a]naphthalene, 1a,2,3,3a,4,5,7a,7b-octahydro-1,1,3a,7-tetramethyl-
204.35
4.6
0
0
0
0
(1aR,3aS,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene
204.35
4.6
0
0
0
0
1,3,3,8-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecane
222.37
4.1
0
1
9.23
0
Methyl 18-(acetyloxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
413.50
2.7
0
5
55.84
5
(1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
329.30
2
0
6
57.23
1
6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
630.90
10.2
4
6
115.06
5
(1S,4aS,10aR)-6-[(4bS,8S,8aR)-8-carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
630.90
10.2
4
6
115.06
5
Madagascarin
538.50
5.1
6
10
189.66
1
(2beta,3beta,5alpha,6beta,25R)-Spirostan-2,3,6-triol
448.60
4.2
3
5
79.15
0
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