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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
Ethyl 5-hydroxyhexanoate
160.21
0.9
1
3
46.53
6
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
397.50
-0.1
3
8
116.53
9
(7S,8aR,9S,10aR)-1,3-dihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-2,4-dicarbaldehyde
386.50
5.6
2
5
83.83
5
(3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
288.25
2.2
4
6
107.22
1
(4S)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
264.23
-2.4
4
8
125.68
3
4',5-Dihydroxy-7-glucosyloxyflavanone
434.40
0.6
6
10
166.14
4
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
300.30
-0.6
5
7
119.61
5
(3R)-5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
286.28
2.9
2
5
75.99
2
(5S,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
442.70
8.2
1
2
37.3
4
(3R,8R,9R,10S,13S,14R,17S)-17-[(2S,5S)-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
400.70
8.8
1
1
20.23
5
4-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
322.74
2.9
1
5
72.81
4
(3S,3aR,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione
264.32
1.2
1
4
63.6
0
(3aR,4S,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
276.28
-0.7
2
5
83.83
1
7-[(1R,2R)-2-[(Z,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
336.50
4.4
2
4
74.6
13
(1aR,4R,4aR,7R,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
222.37
3.7
1
1
20.23
0
(2S)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
240.25
3
0
3
43.37
1
(5R,5aS,8aS)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
384.40
2.8
1
7
83.45
3
(E)-1-[(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
340.40
3.5
3
5
86.99
4
8-[(E,3R)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
276.28
1.2
2
5
79.9
4
(3R)-3-hydroxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
230.22
0.6
1
4
63.6
0
(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
331.40
6.6
1
1
25.02
3
1-[2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
338.40
5.4
2
4
66.76
6
(6R)-4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
342.30
2.4
3
7
109.36
1
Norketoagarofuran
222.32
2.3
0
2
26.3
0
N-Benzoyl-1-phenylalanyl-1-phenylalaninol acetate
444.50
4.4
2
4
84.5
11
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