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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
Gibberellin A38 glucosyl ester
524.60
-1.3
6
11
183.21
4
(1R,2R,5S,8S,9S,10R,11R,13R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
510.50
-1.4
6
11
183.21
4
(1R,4aR,4bS,7R,10S,10aR)-7-ethenyl-10-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
318.40
4.4
2
3
57.53
2
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,17R,18R)-8-acetyloxy-11-ethyl-16-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
583.70
2.7
1
9
103.76
10
(1S,4S,9S,10S,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
272.50
6.9
0
0
0
0
(1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
378.40
-1.2
2
8
118.12
2
[(1S,4R,9R,10S,13S)-5,5,9-trimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
288.50
5.9
1
1
20.23
1
(1S,4S,5R,6R,9S,10R,13R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-6-ol
304.50
4.7
2
2
40.46
1
[(1S,4S,5R,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
304.50
4.2
2
2
40.46
2
(1S,4S,5S,6R,9S,10R,13R)-6-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
360.50
4.7
1
4
63.6
3
(1R)-1-[(1R,3R,4S,6S,9R,10R,14S)-3-hydroxy-6,9,14-trimethyl-6-tetracyclo[8.5.0.01,14.04,9]pentadecanyl]ethane-1,2-diol
322.50
3.8
3
3
60.69
2
(1R,3R,4R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,14-diol
322.50
3.5
3
3
60.69
1
(1S,2R,3S,6S,9R,10S,11R,14R,17S,18R)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
375.50
2.1
1
5
59
2
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol
465.60
0
2
8
89.85
4
[(1'S,2R,2'R,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',7',9',10'-tetraacetyloxy-5'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate
594.60
1.1
1
12
164.26
10
(4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydropicen-3-one
424.70
8.7
0
1
17.07
0
(3S,3aR,4S,6Z,10Z,11aR)-4-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
250.33
2
1
3
46.53
0
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
552.70
-0.6
6
10
166.14
4
(1R,4R,5R)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
221.29
1.5
0
3
29.54
0
10,11-Dihydro-6-oxoatlantone
234.33
3
0
2
34.14
4
(1R,2R,5S,7S,10R,11S,14R,15S,20S)-1,2,10,15,19,19-hexamethyl-7-propan-2-yl-6-oxahexacyclo[12.8.0.02,11.05,7.05,10.015,20]docosane
426.70
9.6
0
1
12.53
1
(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13S,18R)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
430.60
4.6
1
4
55.76
0
(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
428.60
4.2
1
4
55.76
0
(7R,8R,10S,11S)-11-hydroxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-5-one
248.32
2.2
1
3
50.44
1
(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,3,4,5,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-6-one
442.70
8.5
1
2
37.3
0
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