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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
Erysopine
285.34
1.5
2
4
52.93
1
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0^{1,16}.0^{2,10}.0^{4,8}]icosa-2(10),3,8,15,17-pentaene
297.30
2
0
4
30.93
1
2',4',6'-Trimethoxyacetophenone
210.23
1.5
0
4
44.76
4
19-Methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-11-ol
313.30
0.9
1
5
51.16
1
methyl (2S,13bS)-2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate
343.40
2.2
0
5
48
4
24-Methyl-5alpha-cholest-7-en-3beta-ol
400.70
8.5
1
1
20.23
5
(3S,5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
8.5
1
1
20.23
5
Ergostine
595.70
2.6
3
6
118.21
5
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
434.40
0.7
6
10
166.14
3
6',7'-Dihydro-6'-hydroxyrotenone
412.40
2.8
1
7
83.45
3
2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-
190.28
3.2
0
1
17.07
2
(3S,5R,8R,9R,10R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
444.70
8.5
2
2
40.46
4
[(1R,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
302.50
5
1
2
33.37
4
(1S,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylic acid
316.40
4.9
1
3
50.44
4
(1S,4aR,5S)-5-(2-(furan-3-yl)ethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid
316.40
4.9
1
3
50.44
4
Methyl 7-(acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
446.40
-2.9
5
12
181.44
8
beta-Sitosterol-beta-D-glucoside
576.80
7.7
4
6
99.38
9
beta-Sitosterol-3-beta-d-glucoside
576.80
7.7
4
6
99.38
9
beta-sitosterol-3-O-beta-d-glucoside
576.80
7.7
4
6
99.38
9
3-O-beta-d-glucopyranosylsitosterol
576.80
7.7
4
6
99.38
9
(2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
576.80
7.7
4
6
99.38
9
Daurinoline
610.70
6.4
2
8
83.86
9
(3R,3aR,5aR,5bS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bS)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
410.70
10.5
0
0
0
1
CID 12309183
246.30
2.9
1
3
46.53
0
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