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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
((4aS,8S,8aR)-8-Isopropyl-5-methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)methanol
220.35
2.8
1
1
20.23
2
(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-2-carbaldehyde
218.33
3.3
0
1
17.07
2
[(3aR,4R,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
348.40
1.5
1
6
89.9
5
Multigilin
360.40
2.2
1
6
89.9
3
[(1S,2S,6R,7R,10R,12R,14S)-14-methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
474.50
0.7
2
9
131.89
9
(5S,9R,10S,13S,14S,16S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-ol
426.70
9.4
1
1
20.23
4
[17-(5-Methoxyoxolan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
470.60
5.4
0
5
61.83
4
[17-(3-Hydroxy-5-methoxyoxolan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] benzoate
548.70
6
1
6
82.06
5
[(5R,7R,8R,9R,10R,13S,17S)-17-(3-hydroxy-5-methoxyoxolan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] benzoate
548.70
6
1
6
82.06
5
1alpha,4beta,10beta-Trihydroxyguaia-2,11(13)-dien-12,6alpha-olide
280.32
-0.1
3
5
86.99
0
(1S,4S,5R,7S,8Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.05,7]tetradec-8-ene-10,13-dione
278.30
0.9
1
5
76.13
0
(1R,2S,7S,10S,12S,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
290.50
5.8
1
1
20.23
0
[(1R,2S,6S,7R,10S,12S,13S)-13-hydroxy-2,6,13-trimethyl-6-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
348.50
4.9
1
3
46.53
3
[(1R,2S,7S,10S,12S,13S)-13-hydroxy-2,6,6-trimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
348.50
5.3
1
3
46.53
3
(1R,2S,7S,10S,12R,13S)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
306.50
4.7
2
2
40.46
0
(1R,2S,7S,10S,12S,13S)-13-(hydroxymethyl)-2,6,6-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
306.50
4.7
2
2
40.46
1
4-[(1S,4S,5S)-5-hydroxy-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-yl]butan-2-one
388.50
-1
5
8
136.68
6
2-[5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
466.50
0.8
5
10
147.3
9
2-Methoxy-1-propanol
90.12
-0.2
1
2
29.46
2
[(3R,5aR,6R,7S,9aR)-6-[2-[(3R,5aR,6S,9aR)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate
576.80
5.6
1
7
91.29
7
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8-acetyloxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-(acetyloxymethyl)prop-2-enoate
446.40
1.3
0
9
117.73
8
6-Methoxydihydrosanguinarine
363.40
4.1
0
6
49.39
1
3,5,7-Trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one
482.40
2.1
6
10
166.14
4
2-(4-Methoxyphenyl)-3-methyloxirane
164.20
1.8
0
2
21.76
2
(E)-1-[2-hydroxy-4,6-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
596.50
-0.8
10
15
256.29
9
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