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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
Bicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S)-
150.22
2.1
0
1
17.07
1
(-)-Myrtenal
150.22
2.1
0
1
17.07
1
(1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
300.40
5.6
1
2
37.3
2
Cuscohygrine
224.34
1
0
3
23.55
4
(+)-Epi-alpha-bisabolol
222.37
3.8
1
1
20.23
4
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
204.35
4.6
0
0
0
0
(5S,9S,13R)-3-oxa-1-azatricyclo[7.3.1.05,13]tridecane
181.27
2.1
0
2
12.47
0
Euphorprolitherin B
770.80
3.5
0
15
193.33
17
Calliterpenone
320.50
3
2
3
57.53
1
Beta-Peltoboykinolic Acid
456.70
7.7
2
3
57.53
1
(1S,2R,4aR,6aR,6aR,6bR,8aR,10S,12aR,14bR)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
456.70
7.5
2
3
57.53
1
Astilbic acid
472.70
6.3
3
4
77.76
1
(4aR,6aR,6aR,6bR,8aR,10S,12aR,14bR)-10-acetyloxy-2,2,4a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
498.70
8.3
1
4
63.6
3
(1S,9R,10S)-10-hydroxy-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),16-dien-5-one
274.36
-0.7
3
3
61.36
0
(6R,8S)-6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
366.40
4.5
0
4
36.92
4
(3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
462.70
6
3
4
77.76
6
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
462.70
6
3
4
77.76
6
6-Hydroxy-2-(2-hydroxy-2-phenylethyl)chromone
282.29
3.1
2
4
70.67
3
Isopterocarpolone
236.35
2.1
1
2
37.3
1
Lobelanidin
339.50
3.6
2
3
43.7
6
N-[2-[1-[3-[2-(dimethylamino)ethyl]-5-hydroxy-1H-indol-4-yl]indol-3-yl]ethyl]-N-methylacetamide
418.50
3.5
2
3
64.5
7
N-Acetylnorloline
182.22
-0.6
1
3
41.57
1
Octadecyl p-coumarate
416.60
10.7
1
3
46.53
20
octadecyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
416.60
10.7
1
3
46.53
20
5-Hydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
580.50
6
3
10
148.8
6
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