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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
3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
320.50
4.4
1
3
46.53
3
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxan-2-yl]methyl acetate
650.60
-1.3
8
16
255.27
9
8-[(2S,3S)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
314.50
4.5
2
4
70.06
16
Byakangelicin
334.30
1.6
2
7
102.27
5
(5E)-5-[1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethylidene]-2,2-dimethylfuran
234.33
3.3
0
2
18.46
2
(1R,3R,4Z,8S,10S,11S)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
370.40
1.8
1
5
60.03
4
(1R,6S,7S,12R,13S,19R,20S,21S,22R,28S)-2,11-dioxa-18,23-diazanonacyclo[20.6.1.112,19.01,5.06,21.07,20.08,12.013,18.023,28]triaconta-4,8-diene-3,10-dione
434.50
1.3
0
6
59.08
0
[(2S,3R,4S,5S,6S)-3-hydroxy-4,5-dimethyl-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate
632.70
4.2
5
11
172.21
14
3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
626.50
-1.8
11
17
289.66
7
(1S)-1-[2-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
507.60
3.5
4
8
109.64
8
(1S)-1-[2-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
507.60
3.5
4
8
109.64
8
(1R)-1-[2-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
507.60
3.5
4
8
109.64
8
(1R)-1-[2-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
507.60
3.5
4
8
109.64
8
[(1S,2R,6S,7R,9R,11R,12S,13S,15R,16R)-6-hydroxy-15-[(1S)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
530.60
2.6
2
8
118.12
4
(1R,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
220.35
2.7
1
1
20.23
1
[(1'R,2'R,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentaacetyloxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate
636.70
1.7
0
13
170.33
12
Humulenol II
220.35
3.5
1
1
20.23
0
5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-methoxyphenyl)chromen-4-one
566.50
5.7
4
10
159.8
5
5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one
552.50
5.4
5
10
170.8
4
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7-triol
562.50
2
9
11
200.53
3
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7-triol
562.50
2
9
11
200.53
3
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
578.50
2.3
9
12
209.76
4
Tragopogonic acid
716.60
1.8
11
16
284.36
5
[(2S,3S)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
716.60
1.8
11
16
284.36
5
4-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-8-[8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
1027.00
9.6
12
16
279.68
7
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