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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
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate
478.40
-3.2
7
13
212.67
9
1-[(1R,6R)-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-ethenyl-2-methoxy-1-methylcyclohexa-2,4-dien-1-yl]pent-4-en-1-one
329.40
3.1
0
4
47.89
7
(2S)-7-phenylhepta-4,6-diyn-2-ol
184.23
2.7
1
1
20.23
3
CID 101396440
842.10
3.7
4
13
163.63
9
[(1R,2S,5R,6R,13R,14S,16S)-6-(furan-3-yl)-13-hydroxy-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl] (E)-2-methylbut-2-enoate
584.70
2.7
2
10
149.57
7
methyl (1aS,4S,4aS,7R,8R,8aR)-4-(furan-3-yl)-7-[(1R,6R)-6-(hydroxymethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate
486.60
3
1
8
115.57
5
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
580.50
-0.1
7
14
214.06
11
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
614.50
-0.6
7
16
232.52
12
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
788.70
0.5
8
18
261.98
15
(2S)-8-hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carbaldehyde
286.40
4.3
1
3
46.53
4
(2S)-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carbaldehyde
286.40
4.8
1
3
46.53
4
(1S,2S,4S,5R)-2-[[(Z)-[(3aS,4S,5S,6aS)-4-hydroxy-4-(hydroxymethyl)-5-methyl-2-oxo-3a,5,6,6a-tetrahydrocyclopenta[b]furan-3-ylidene]methyl]amino]-1'-methoxy-8-propanoylspiro[6-oxabicyclo[3.2.2]non-8-ene-4,3'-indole]-2'-one
538.60
0.8
3
9
134.63
6
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(4-propan-2-ylphenyl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
458.50
-1.1
6
10
158.3
7
2-(Formylamino)benzoic acid
165.15
1.9
2
3
66.4
2
Phosphocholine
184.15
-1.5
2
4
76.57
4
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
903.10
0.4
11
18
287.14
12
(1R,2S,6R,9S,10R,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
415.70
5.5
2
3
43.7
0
CID 101400640
957.10
0.2
6
20
258.44
11
cis-2-Butenethiol
88.17
1.4
1
1
38.8
1
(1S,2S,3R,8S)-2-hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.03,7]pentadeca-9,11-dien-13-one
233.26
0.1
1
4
49.77
0
Oct-1-en-3-yl Ara (1-6)Glu
422.50
-1.1
6
10
158.3
10
1-Deacetoxy-1-oxocaesalmin
430.50
2
1
7
103.04
4
(1R,5E,7S,12R)-7-hydroxy-5,16,16-trimethyl-9-methylidene-2-oxabicyclo[10.3.1]hexadec-5-ene-3,15-dione
320.40
2.6
1
4
63.6
0
(4E,11S)-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene-2,6-dione
286.40
3.6
0
2
34.14
0
(1R,2R,4R,9R,10S,11R,12R,13S,15R,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,11,12,15,16-pentol
352.50
1
5
5
101.15
0
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