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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-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione
242.23
1.8
1
4
67.51
1
methyl (2S)-2-[(1S,3S,5R,7S,8S,9R,11S,12S,16R)-5-acetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]-2-hydroxyacetate
546.60
2.5
1
10
138.57
6
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aS)-1,3a,10-triacetyloxy-11-benzoyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
719.80
4.7
1
13
181.69
12
(4-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl) acetate
278.40
3.4
1
3
46.53
3
Capsidiol 3-acetate
278.40
3.4
1
3
46.53
3
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-3a,9,10,13-tetraacetyloxy-1-hydroxy-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
656.70
4.1
1
12
168.8
11
Aubergenone
236.35
2.9
1
2
37.3
1
(3R)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2H-chromen-4-one
440.50
5.3
5
7
127.45
5
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
234.33
3.4
1
2
37.3
1
3-Hydroxysolavetivone
234.33
3.4
1
2
37.3
1
2-(3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl)propan-2-ol
252.35
1.8
1
3
38.69
1
2-[(5aR,8R,9aS)-1,5a-dimethyl-7,8,9,9a-tetrahydro-6H-3-benzoxepin-8-yl]propan-2-ol
236.35
2.8
1
2
29.46
1
cyclo[Ala-Ala-Leu-Gly-Cys(1)-D-Ser-Cys(2)-Lys-Ser-Lys-Val-Cys(3)-Tyr-Arg-Asn-Gly-Ile-Pro-Cys(1)-Gly-Glu-Ser-Cys(2)-Val-Tyr-Ile-Pro-Cys(3)-Ile-Thr]
3115.70
-6.5
41
48
1322.93
36
2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate
260.40
4.1
0
2
26.3
3
2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
218.33
3.5
1
1
20.23
1
2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
218.33
3.5
1
1
20.23
1
(11S)-Nootkatone-11,12-diol
252.35
1.1
2
3
57.53
2
[(1S,3R,4E,6R,7S,8E,10R,11S)-6-acetyloxy-7-hydroxy-4,11-bis(hydroxymethyl)-8,11-dimethyl-3-bicyclo[8.1.0]undeca-4,8-dienyl] 3-phenylpropanoate
458.50
1.2
3
7
113.29
9
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(Z)-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
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
552.70
0.4
6
10
166.14
5
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
632.60
1.7
1
14
187.24
13
[(1S,3R,4E,6R,7S,9S,10R,11S)-6-acetyloxy-7,9-dihydroxy-4,11-bis(hydroxymethyl)-11-methyl-8-methylidene-3-bicyclo[8.1.0]undec-4-enyl] 3-phenylpropanoate
474.50
0.2
4
8
133.52
9
4-[(2R,3R)-6-[(3R,3aS,6R,6aS)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
658.60
2.9
6
12
176.76
6
(9S,10E,16R)-octadeca-10,17-dien-12,14-diyne-1,9,16-triol
290.40
3.2
3
3
60.69
11
2-[(1S,3R,5R,7S,9R,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl]acetic acid
590.70
0.8
4
11
169.05
4
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