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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
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
596.50
-1
10
16
269.43
5
(2S)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
408.50
6.1
2
5
75.99
7
(2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
354.40
4.5
1
5
64.99
5
1-[7-Hydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]ethanone
316.40
4.6
1
4
55.76
4
5-Hydroxy-7-(4-hydroxyphenyl)-10-(3-methoxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
436.50
5
2
6
89.13
5
Lithosenine
415.50
-1.4
4
9
136.76
10
Acetyllythosenine
457.50
-0.8
3
10
142.83
12
[(1R,4R,4aR,8R,8aR)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate
426.60
5.7
2
4
66.76
8
[(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dienyl] acetate
262.40
4.5
0
2
26.3
7
[(3S,3aS,5aR,6S,9bS)-3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate
292.40
2.2
0
4
52.6
2
[(3S,3aS,5aR,6S,8S,9bS)-8-hydroxy-3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate
308.40
1.1
1
5
72.83
2
(2S)-2-[(1S)-1-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-5-methyl-2,3-dihydropyran-6-one
941.10
3.4
10
18
283.98
11
4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-
592.50
-0.6
8
14
228.97
6
methyl (1R,9R,16S,18R,21R)-15-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
354.40
2
2
5
61.8
2
Gibberellin A92
346.40
0.1
3
6
104.06
1
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
198.22
-0.4
2
4
66.76
2
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E,3S)-3-methyl-7-oxooct-5-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
360.50
5.7
1
3
54.37
7
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxopent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
318.40
4.7
1
3
54.37
5
methyl (1S,4aR,5R,7S,8aR)-7-acetyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
392.50
4.2
1
5
72.83
8
methyl (1S,4aR,5S,8aR)-5-[(3S)-4-hydroxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
322.50
4.7
1
3
46.53
6
(1R,2R,4aR,5S,8aS)-1-[2-(furan-3-yl)ethyl]-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
320.50
4
2
3
53.6
4
(1S,4aS,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
362.50
4.6
1
4
63.6
7
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
466.70
7.8
1
4
55.76
10
(1S,2S,6R,7R,10S,11S,13R)-2,6-dimethyl-13-propan-2-yl-12,16-dioxapentacyclo[8.5.1.01,10.02,7.011,13]hexadecane-6-carboxylic acid
334.40
3.3
1
4
62.36
2
(1S,2S,5S,6R,11S,12S,14S,15R,18R,20S)-11,14-bis(hydroxymethyl)-8,8,15,19,19-pentamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-16-ene-5,12-diol
488.70
4.9
4
5
90.15
2
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