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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
(4R)-2-amino-4-[2-[(4-fluorophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
418.50
4.4
1
6
85.34
4
(1R,8R,9S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
346.40
3.4
3
5
86.99
1
(2R,3R,4S,5S,6R)-2-[(2E,6Z)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
332.39
-0.1
5
7
119.61
8
(2R,3R,4S,5S,6R)-2-heptan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
278.34
0.7
4
6
99.38
7
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
963.90
13
23
374.43
15
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
947.90
12
22
354.2
15
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
592.50
-0.3
6
14
206.97
9
(3R,4R)-3-[1,3-benzodioxol-5-yl(hydroxy)methyl]-4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
386.40
2.7
2
8
103.68
4
[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate
746.70
2.5
7
16
263.88
15
[(E)-3-[5-acetyloxy-2-[3-(4-acetyloxy-3-methoxyphenyl)prop-1-en-2-yl]-4-methoxyphenyl]prop-2-enyl] acetate
468.50
4.7
0
8
97.36
13
(13Z,13'Z,3R,3'R,6'R)-Lutein
568.90
11
2
2
40.46
10
[(2R,3R)-2-[8-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3a,5,6-trihydroxy-3-oxo-8bH-cyclopenta[b][1]benzofuran-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
884.70
2.7
13
21
360.35
8
ent-3Beta-Angeloyloxykaur-16-en-19-oic acid
400.50
5.9
1
4
63.6
4
Surinone C
420.60
8.2
2
4
74.6
18
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-9-oxo-1,2,3,4a,5,6,6a,7,8,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
482.70
8.2
0
3
43.37
2
[(1R)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
678.80
2.5
6
11
175.37
6
(23R,24S)-3beta-(beta-D-Xylopyranosyloxy)-9beta,19-cyclo-16beta,23-epoxy-5alpha-lanost-7-ene-15alpha,16,24,25-tetraol 24-acetate
678.80
2.5
6
11
175.37
6
[(1S)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
678.80
2.5
6
11
175.37
6
[(1R)-1-[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-10,11-dihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-yl]-2-hydroxy-2-methylpropyl] acetate
678.80
2.5
6
11
175.37
6
2-[(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-22-yl]propan-2-yl acetate
660.80
3.5
4
10
144.14
5
[(1R,3R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1R,3R,6S,8R,12R,13R,15R,16R)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl]butyl] acetate
690.90
3.3
5
11
175.51
9
Ancistrotectoriline A
421.50
5.3
1
5
48.95
5
(5R,8S,9S,10R,14R)-17-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
470.70
4.5
1
4
71.44
5
(10R,11S)-11-[(10R,11S)-11-[2-[(14R,15S,19S)-14-[(10R,11S)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carboxylic acid
1871.30
3.8
31
52
907.2
10
(10R,11S)-11-[(10R,11S)-17-(6-carboxy-2,3,4-trihydroxyphenoxy)-11-[2-[(14R,15S,19S)-14-[(10R,11S)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-19-yl]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,18,19-pentahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carboxylic acid
2039.40
4.1
34
57
994.19
13
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