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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,3R,6R)-3-acetyloxy-1-[2-(furan-3-yl)ethyl]-6-hydroxy-2,5,5-trimethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl acetate
418.50
3.2
1
6
85.97
8
[(1S,2S,3R,4aR,6R,8aS)-3-acetyloxy-1-[2-(furan-3-yl)ethyl]-6-hydroxy-2,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
418.50
3.5
1
6
85.97
8
[(1S,2S,3S,4R,4aR,8aR)-3,4-diacetyloxy-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl acetate
460.60
4.3
0
7
92.04
10
Glyceryl 1,3-distearate
625.00
16.2
1
5
72.83
38
[(3S,5S,6S,8S,9S,10R,13S,14S,16S,17R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-ethyl-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] (4S)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
937.10
-1.1
12
20
324.44
15
(1S,2R,3R,4S,6R,7R,10R,11R,12S)-2,6,11,12-tetrahydroxy-4-methyl-4-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]-9,14-dioxatetracyclo[8.4.0.03,7.07,11]tetradecan-13-one
382.40
-2.1
4
9
142.75
1
[(1R,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] 7-methoxy-2-oxochromene-8-carboxylate
478.40
3.8
1
9
125.41
8
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
410.50
-0.1
1
8
121.64
3
[(2R,3R,4S,5R,6S)-4-acetyloxy-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,5-dihydroxyoxan-2-yl]methyl acetate
532.40
1
5
13
198.51
8
[(1R,2S,3S,4S,6R,7S,10S,11S,16R,17R)-16-chloro-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,17-dihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
563.10
2.9
2
8
122.66
4
[(1S,2R,7S,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate
526.60
2.6
1
8
114.96
4
(2S,12R)-5-hydroxy-6,8,8,10,10-pentamethyl-12-(2-methylpropyl)-2-phenyl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
502.60
6.5
1
6
89.9
3
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
582.60
0.7
6
13
185.99
11
[(2R,3S,4S,5R,6R)-6-[[(1S,4S,5R,17R,19S,20R)-8,20-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
734.70
-1.2
7
18
266.66
9
(e)-caffeyl alcohol 4-O-beta-d-glucopyranoside
328.31
-1.6
6
8
139.84
5
[(1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] (E)-2-methylbut-2-enoate
700.70
2.3
1
14
191.17
11
[(1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] 2-methylprop-2-enoate
686.70
2.1
1
14
191.17
11
(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
574.60
-4.4
9
14
236.06
3
(3R,4S)-3-(hydroxymethyl)-4-[(2R)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]oxan-2-one
362.37
-1
5
9
145.91
7
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
1075.20
0.5
13
22
353.9
12
5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
420.50
6.8
2
5
79.9
6
(1S,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
304.50
4.2
1
2
37.3
5
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1049.20
-2.4
13
23
355.29
11
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R,4S,5'S,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1049.20
-2.4
13
23
355.29
11
N-[2-(1H-indol-3-yl)ethyl]icosanamide
454.70
11.3
2
1
44.89
21
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