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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
2,6,6-Trimethyl-3-oxocyclohexa-1,4-diene-1-carboxylic acid
180.20
1.6
1
3
54.37
1
[(1R,3R,4S,5R,7S,8R,9S,12S,13S)-13-(furan-3-yl)-5,9-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2R)-2-methylbutanoate
586.70
2.9
2
9
132.5
8
3-[(1S,4R,5R,8S,9S,12S,13R)-5-[(3S,6R)-6-[(2R)-1,2-dihydroxypropan-2-yl]oxan-3-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
488.70
6.1
3
5
86.99
7
(1R,4aR,4bR,10aR)-1,4a-dimethyl-8-oxo-7-propan-2-yl-3,4,4b,5,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
316.40
4.4
1
3
54.37
2
[(1R,3R,4R,6R,8S,9S,10S,12R,13R,14S,15S)-1,8,9,12,14-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-10-yl] benzoate
714.80
3.7
0
14
187.4
13
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
632.80
6.6
4
7
124.29
6
(2R,3R,4S,5S,6R)-2-[(1R,6S)-6-hydroxy-3-(hydroxymethyl)-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
348.39
-2.1
6
8
139.84
4
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
632.80
6.6
4
7
124.29
6
[(1R,3R,4R,6R,8S,9S,10S,12R,13S,14S,15S)-1,10,14-triacetyloxy-9-benzoyloxy-12-hydroxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate
735.80
3.7
1
14
194.22
12
(2S,3S,5Z,8S)-3-Chloro-2-[(E)-pent-2-en-4-ynyl]-8-[(E)-prop-1-enyl]-3,4,7,8-tetrahydro-2H-oxocine
250.76
4.1
0
1
9.23
3
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,3a,9,10,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
698.80
4.7
0
13
174.87
13
(Z,3S,8S)-heptadec-9-en-4,6-diyne-1,3,8-triol
278.40
3.2
3
3
60.69
10
N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide
547.50
-0.8
5
11
173.24
7
6-[(E)-2-[(2S,3S)-2-(4-hydroxyphenyl)-3-(2,3,5-trihydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,2,4-triol
486.50
4.7
7
8
150.84
4
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aS)-1,3a,9,11-tetraacetyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-10-yl] benzoate
656.70
4.1
1
12
168.8
11
(5R,8R,9R,10R,13R,14R,17R)-17-[7-hydroxy-6-(hydroxymethyl)hepta-1,5-dien-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
456.70
7.1
2
3
57.53
6
(1S)-1,7,8,9-tetrahydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
264.19
-0.8
4
7
128.2
0
[(2S,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
676.70
5.3
2
11
162.73
11
[(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
582.60
3.2
7
12
195.6
10
(2R)-4-ethoxy-2-[(3S,4S)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobutanoic acid
412.30
0.6
4
11
176.89
9
methyl (1R,4aR,4bR,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
332.50
3.7
1
3
46.53
3
Dispiro(furan-3(2H),1'(5'H)-naphthalene-5',2''-oxiran)-2-one,4'-(acetyloxy)-4'a-((acetyloxy)methyl)-5-(3-furanyl)decahydro-2'-methyl-, (1'R-(1'alpha(S*),2'alpha,4'beta,4'aalpha,5'alpha,8'abeta))-
446.50
2.3
0
8
104.57
6
Teupolin I
404.50
1.7
1
7
98.5
4
26-Norolean-7-ene, 13-methyl-, (13alpha,14beta)-
410.70
10.7
0
0
0
0
(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene
540.90
15.5
0
0
0
18
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