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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
Isonuatigenin
430.60
4.4
2
4
58.92
0
5-[1-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-2,2-dimethyloxolane-3,4-diol
474.70
5.8
3
4
69.92
2
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
448.40
-0.2
8
11
201.28
3
9-(Hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol
270.33
1.1
3
3
59.49
1
Isophloionolic acid
332.50
3.6
4
5
97.99
17
(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
302.50
5.3
1
2
37.3
2
Isopimara-7,15-dienal
286.50
5.2
0
1
17.07
2
(1R,2S,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one
152.23
2.3
0
1
17.07
0
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
152.23
2.1
1
1
20.23
1
Isoporoidine
211.30
2.3
1
3
38.33
4
4'-Demethyldeoxypodophyllotoxin beta-D-glucopyranoside
546.50
1.2
4
12
162.6
6
Pachybiose
322.35
-1.8
3
8
114.68
8
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
430.60
4.7
2
4
58.92
0
Limacusine
608.70
6.3
1
8
72.86
3
Limocitrol
376.30
2.4
4
9
138.82
4
6-Chloro-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
398.79
-3
7
10
169.3
3
(1S,4aS,5S,6R,7R,7aS)-6-chloro-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
398.79
-3
7
10
169.3
3
Neolinderalactone
244.28
2.7
0
3
39.44
0
CID 12311263
260.28
1.9
0
4
51.97
0
4,9-Dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol
230.30
2.1
1
2
33.37
0
4-(Methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene
244.33
2.5
0
2
22.37
2
CID 12311268
244.33
2.5
0
2
22.37
2
(4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan
214.30
3.7
0
1
13.14
0
3,8a-dimethyl-5-methylidene-4a,6,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
230.30
2.5
0
2
26.3
0
(4aS,8aS,9aS)-3,8a-dimethyl-5-methylidene-4a,6,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
230.30
2.5
0
2
26.3
0
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