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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
4,2',4',alpha-Tetrahydroxydihydrochalcone
274.27
2.4
4
5
97.99
4
Ethyl, 2-phenyl-
105.16
3.1
0
0
0
1
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
416.70
7.2
2
2
40.46
5
methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
566.50
-0.3
5
13
190.67
10
methyl (1S,4aS,5S,6R,7S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5,6-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
584.50
-1.6
8
15
242.13
10
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,14,14b-tetradecahydropicene-3,13-dione
456.70
7.5
1
3
54.37
1
3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine
219.15
-3.9
5
7
158.82
4
(1R,3aS,6aS,7S,10aR)-7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
304.50
5.2
1
2
29.46
3
alpha-Turmerone
218.33
3.8
0
1
17.07
4
Isozedoarondiol
252.35
1.6
2
3
57.53
0
(3S,3aS,8S,8aS)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
252.35
1.6
2
3
57.53
0
Phaeocaulisin E
252.35
1.6
2
3
57.53
0
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
238.37
3.3
2
2
40.46
4
3,3a-Dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,4,8a-tetrahydroazulen-6-one
250.33
1.3
2
3
57.53
0
8a-hydroxy-3,4a,5-trimethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
250.33
2.2
1
3
46.53
0
[(4aR,5R,6S,8aS,9aR)-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
378.50
2.6
1
6
82.06
4
(3aR,7S,8aS)-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
264.32
0.8
1
4
63.6
3
6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
264.32
0.8
1
4
63.6
3
(1R,5S)-5-Methyl-alpha-methylene-4-(3-oxobutyl)-3-cycloheptene-1-acetic acid
250.33
2.5
1
3
54.37
5
4-Oxobedfordiaic acid
250.33
2.5
1
3
54.37
5
Xanthatin-1,5beta-epoxide (4)
262.30
1.4
0
4
55.9
2
Xanthatin-1,5alpha-epoxide (5)
262.30
1.4
0
4
55.9
2
8-Epi-xanthatin-1,5alpha-epoxide
262.30
1.4
0
4
55.9
2
2-[(3S,3aS,5R,8S,8aS)-3-hydroxy-3a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-5-yl]prop-2-enoic acid
252.35
3.2
2
3
57.53
2
2-[(2R,4aR,5R,8aS)-5-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
250.33
2.6
2
3
57.53
2
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