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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)-2-[[(5R,6R,7R)-6-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,4-dihydroxy-5,7-bis(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
812.80
0.7
14
18
320.14
9
1-[(1R,6R)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-3-phenylpropan-1-one
446.60
7.1
1
3
46.53
11
(4'S,6'S,8S)-6'-methoxy-4'-(methylamino)-6-(3-methylbutyl)spiro[5H-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-cyclohexene]-7-one
386.50
2.5
1
5
60.03
5
(2S,11bS)-2,7,11-trihydroxy-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
340.40
2.7
3
5
90.9
0
N-[2-[(6S,7R)-1,3,3,7-tetramethyl-5,8-dioxo-6,7-dihydro-2H-isoquinolin-6-yl]propan-2-yl]acetamide
318.40
1.8
2
4
75.27
2
(9R,11bS)-7,11-dihydroxy-9-(hydroxymethyl)-4,4,11b-trimethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
344.40
3.9
3
5
86.99
1
(1S,12S,13S,16S,18S)-12-[2-(4-hydroxyphenyl)ethyl]-18-methoxy-15-methyl-12-oxido-5,7-dioxa-15-aza-12-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
464.50
2.5
1
6
91.29
4
(3S)-7-[(E)-2-[3-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl]-4,5-dihydroxyphenyl]ethenyl]-2,2-dimethyl-3,4-dihydrochromene-3,5-diol
498.60
4.6
6
7
130.61
8
(2S)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-2,3-dihydrochromen-4-one
472.50
4.5
5
8
136.68
8
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] furan-3-carboxylate
400.40
2.6
0
7
92.04
5
1-[(2R)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-7-yl]-3-methylbutan-1-one
362.50
4.6
3
5
86.99
6
(1S,4S,5R,7S,9S,10S,13R)-7-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
334.40
3.5
3
4
77.76
2
[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2R,5R,6S)-2-(hydroxymethyl)-6-methylbicyclo[3.1.1]heptane-6-carboxylate
646.70
0.4
5
13
190.67
11
(3S,8S)-3,5,8-trihydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-7-one
378.50
2.6
3
6
104.06
5
(1S,2R)-1-[[4-[[(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-5-ol
728.80
5.8
1
11
120.37
11
(1S,2S,10S)-2,5,6,14-tetramethyl-15,18-dioxapentacyclo[8.7.1.01,10.02,7.012,16]octadeca-5,7,12(16),13-tetraene-9,11,17-trione
338.40
1.9
0
5
76.88
0
5,7-dihydroxy-2-[7-hydroxy-2-nonyl-3-[(E)-3-oxododec-1-enyl]-1-benzofuran-4-yl]-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
794.90
9.7
7
13
220.49
22
(2S)-5-hydroxy-8,8,10,10,12-pentamethyl-6-(2-methylpropyl)-2-phenyl-3,6-dihydro-2H-chromeno[3,2-g]chromene-4,7,9-trione
502.60
6.5
1
6
89.9
3
N-[2-[(6S,7R)-1,3,3-trimethyl-7-(2-methylprop-1-enyl)-5,8-dioxo-6,7-dihydro-2H-isoquinolin-6-yl]propan-2-yl]acetamide
358.50
3
2
4
75.27
3
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[(2R,3R)-6-[3-[(E)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]ethenyl]-5-hydroxyphenoxy]-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
758.90
11.9
6
8
139.84
15
1-[(1S,6S)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]-3-phenylpropan-1-one
446.60
7.1
1
3
46.53
11
12-[[(6aS)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,3,10,11-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline
722.80
6.7
0
11
89.55
10
(2R,7S)-4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-6-one
378.50
2.6
3
6
104.06
6
(1R,4R,12S,14S)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
305.40
1.4
1
4
61.75
1
(1S,4S,5R,7S,9S,10S,13R)-7-hydroxy-5-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
362.50
3.7
2
5
83.83
3
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