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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
(R)-10,16-Dihydroxyhexadecanoic acid
288.42
3.6
3
4
77.76
15
[(1S,3S,5S)-5-hydroxy-3-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,2-dimethyl-4-methylidenecyclohexyl] acetate
296.40
2.1
2
4
66.76
6
(1S,9S,12S,13S,15R,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene
296.40
3.1
1
3
27.8
1
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,4,6-trien-1-one
297.30
3.8
0
3
38.77
4
glycocitrine II
309.40
4.9
2
4
62.46
2
2,3-Dimethylbenzoic acid
150.17
2.8
1
2
37.3
1
(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
342.30
3.1
2
6
85.22
4
(2E,4E)-1-(Piperidin-1-yl)octadeca-2,4-dien-1-one
347.60
8.4
0
1
20.31
14
1,8-Dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione
352.40
5
2
5
83.83
3
(+)-Ar,11S-Myricanol
358.40
4.1
3
5
79.15
2
2-Butyl-5-methoxy-7-phenylbenzo[de]isoquinoline-1,6-dione
359.40
4.1
0
3
48.3
5
(1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
366.40
-0.3
4
6
107.22
1
[(1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone
367.50
4.9
0
3
38.77
2
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropanoyl]oxypropanoic acid
378.30
1.6
6
9
164.75
8
4,4,8-Trimethyl-2,3,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-1,7,11-trione
310.30
3
0
4
60.44
0
Uralstilbene
382.50
6.5
3
4
69.92
8
Pseudolaric acid H
386.40
2.8
1
6
89.9
5
2-S-glutathionyl caftaric acid
617.50
-4.4
10
17
345.71
18
methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
402.40
-0.9
4
9
142.75
10
6-Chloro-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
304.68
3.3
3
5
90.9
1
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
474.40
0.7
5
11
176.12
7
Dibothrioclinin II
484.50
5
0
6
78.88
0
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
506.60
-1.3
7
11
178.53
9
Patentiflorin A
526.50
2.3
3
11
142.37
5
[(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17S)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-14-yl] acetate
541.00
1.7
1
10
137.96
6
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