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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
(1R,2S,6R,7R,8S,11R,12R)-2,6,8,12-tetrahydroxy-3,11-dimethyl-4-propan-2-yl-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-13-oxatetracyclo[5.5.3.02,6.08,12]pentadec-3-en-14-one
544.60
-3.2
8
12
206.6
5
(1R,5R,6S,9S,10R,11R,15R)-9,10,11,15-tetrahydroxy-13-[(2S)-1-hydroxypropan-2-yl]-1,6,12-trimethyl-4-oxatetracyclo[7.6.0.05,10.011,15]pentadec-12-en-3-one
382.40
-1.6
5
7
127.45
2
(2S,3R,4S,5S,6R)-2-[4-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-6-yl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
778.70
1.8
11
16
268.68
10
(6S,8R,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-6-hydroxy-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3,10-trien-14-one
484.70
2.8
3
5
94.83
5
(6S,8R,12R,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-6-hydroxy-7,7,12,16-tetramethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3,10-trien-14-one
484.70
2.8
3
5
94.83
5
(3S,6S,8S,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one
634.80
0.8
6
10
173.98
7
(3R,6S,8S,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one
634.80
0.8
6
10
173.98
7
(3S,6S,8S,12R,15R,16R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one
616.80
1.8
4
9
146.05
6
(3R,6S,8S,12R,15R,16R)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one
616.80
1.8
4
9
146.05
6
[(1R,3R,4R,5R,6R,8S,10S,12S,13S,16R,18S,21R)-8-hydroxy-4,6,12,17,17-pentamethyl-8-(2-methylpropanoyl)-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]docosan-3-yl] acetate
662.80
4.4
4
10
151.98
6
[(1R,3R,4R,5R,6S,10S,12S,13S,16R,18S,21R)-8-(1,2-dihydroxy-2-methylpropyl)-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-7-en-3-yl] acetate
662.80
3.5
5
10
155.14
6
[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21S,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate
678.80
2.9
5
11
164.37
4
2-[[2-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol
560.60
6.7
4
8
117.84
12
2-[[4-Hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol
560.60
6.7
4
8
117.84
12
4-[[4-Hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxyphenyl]methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyphenol
560.60
6.7
4
8
117.84
12
2-[[2-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyphenol
560.60
6.7
4
8
117.84
12
4-[[2-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl]methyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxyphenol
560.60
6.7
4
8
117.84
12
4-[[2,4-Dihydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]phenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]benzene-1,3-diol
532.60
6.1
6
8
139.84
10
(9S)-9,10-dihydrophenanthrene-2,4,5,9-tetrol
244.24
1.7
4
4
80.92
0
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-3-[(2S)-2-hydroxypropyl]-1'-methylspiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
330.40
0.7
3
4
72.8
3
(E)-1-[5,8-dihydroxy-2-(3-hydroxy-4-methylpent-4-enyl)-2-methylchromen-6-yl]-3-(2,5-dihydroxyphenyl)prop-2-en-1-one
438.50
4.7
5
7
127.45
7
(E)-1-[5,8-dihydroxy-2-(3-hydroxy-4-methylpent-4-enyl)-2-methylchromen-6-yl]-3-(2,6-dihydroxyphenyl)prop-2-en-1-one
438.50
4.7
5
7
127.45
7
(E)-1-[5,8-dihydroxy-2-(3-hydroxy-4-methylpent-4-enyl)-2-methylchromen-6-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
422.50
5.1
4
6
107.22
7
(E)-1-[5,8-dihydroxy-2-[(E)-4-hydroxy-4-methylpent-2-enyl]-2-methylchromen-6-yl]-3-(2,5-dihydroxyphenyl)prop-2-en-1-one
438.50
4.1
5
7
127.45
6
(E)-1-[5,8-dihydroxy-2-[(E)-4-hydroxy-4-methylpent-2-enyl]-2-methylchromen-6-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
422.50
4.4
4
6
107.22
6
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