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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
2-[(2R,4aR,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
234.33
4.1
1
2
37.3
2
beta-Costol
220.35
4.2
1
1
20.23
2
Costol
220.35
4.2
1
1
20.23
2
(3As,6E,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
232.32
2.1
0
2
26.3
0
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4R,7R,9R,10S,13R,15S)-15-hydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
466.60
2.3
5
7
119.61
3
Crotonosine
283.32
1.7
2
4
58.56
1
(4S)-11-hydroxy-10-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
283.32
1.7
2
4
58.56
1
Escholtzine
323.30
3
0
5
40.16
0
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
576.70
2.4
2
9
120.75
6
[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
738.90
0.8
5
14
199.9
9
2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
222.37
3.5
1
1
20.23
1
7-epi-alpha-Eudesmol
222.37
3.5
1
1
20.23
1
Dextropimarinal
286.50
5.5
0
1
17.07
2
(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
286.50
5.5
0
1
17.07
2
(3R,3AR,3BR,4S,7R,7AR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-OL
222.37
3.9
1
1
20.23
1
(1S,4S,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol
222.37
3.7
1
1
20.23
1
(1S,4R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
222.37
3.7
1
1
20.23
1
[(E,6R)-6-[(8S,9R,10S,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
556.70
3.2
3
8
138.2
6
(-)-alpha-Cuprenene
204.35
4.8
0
0
0
1
Stachene
272.50
7.5
0
0
0
0
64ZM73NK7J
246.30
2
1
3
50.44
0
gamma-Curcumene
204.35
4.7
0
0
0
4
Isopsoralidin
336.30
4.1
1
5
72.81
0
Uncarine B
368.40
1.6
1
5
67.87
2
(-)-Mitraphyllin
368.40
1.6
1
5
67.87
2
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