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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
5,14-Dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one
281.30
2
0
4
40.46
2
(1R,5S,6S,8R,11S)-8-hydroxy-1,5,11-trimethyl-9-oxotricyclo[6.2.1.02,6]undec-2-ene-11-carbaldehyde
248.32
1.3
1
3
54.37
1
(3R,4R)-4-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)oxolan-2-one
312.30
3.1
0
5
53.99
3
(1S,4S,5R,7S,9S,10R,13R,14S)-7-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylic acid
350.40
3.4
3
5
94.83
2
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
454.50
5.8
4
7
116.45
7
[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
404.50
1.8
1
7
99.13
6
(9S,11bS)-7,11-dihydroxy-3-(hydroxymethyl)-4,9,11b-trimethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
342.40
2.3
3
5
86.99
1
(1R,13R,14S,21S)-14,21-dihydroxy-17-[2-(4-methoxyphenyl)ethyl]-7-(2-phenylethyl)-6,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-9,19-dione
578.60
4
2
8
119.34
7
(1R,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-en-6-one
436.70
8.2
0
2
34.14
4
[(1R,3S,6S,8S,10R)-3-methyl-5-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate
480.50
-0.8
4
11
161.21
7
(1S,4S,5S,6R,9S,10S,13R)-5,6-dihydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
320.40
2.9
3
4
77.76
1
(4aR,5R,6S,8R,8aS,9aR)-6,8-dihydroxy-9a-methoxy-3,5,8a-trimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
296.36
0.9
2
5
75.99
1
4-(4-Methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxylic acid
284.40
4.4
1
2
37.3
5
6-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
664.80
7.5
0
9
71.09
10
(2S,3R,4S,5S,6R)-2-[[(5S,6S,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
(5R,7S,8R)-7-methoxy-3-methyl-8-[(1R,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
494.70
6.9
0
5
61.83
2
(1S,13R,16S,18S)-13-acetyl-18-methoxy-15-methyl-12-(3-methylbutyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
440.50
2.9
0
6
68.31
5
(1R,8S,9R,17S)-8,17-dihydroxy-12-methoxy-15-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11,13,15-pentaen-3-one
608.60
4
2
9
128.57
8
(3R,4R)-4-(3,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)oxolan-2-one
286.28
2.2
3
5
86.99
2
(8S)-5-hydroxy-2-(4-hydroxy-4-methylpentyl)-8-(4-hydroxyphenyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
426.50
4.4
3
6
96.22
5
4-[(1R)-1-[(2S)-5,7-dihydroxy-8-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-6-yl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
520.60
6.2
3
7
121.13
5
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-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
736.80
6.1
0
11
108.31
10
(1S,4S,5R,7S,9S,10S,13R)-5-formyl-7-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
332.40
3.3
2
4
74.6
2
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
404.50
1.8
1
7
99.13
6
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
448.60
8.4
4
4
80.92
10
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