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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
[(2R,3S,4S,5R,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
490.40
0.4
6
12
192.44
6
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid
472.40
1.8
5
10
162.98
9
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid
514.50
2
4
11
169.05
11
Methyl 3-[4-(hydroxymethyl)phenoxy]-4-methoxybenzoate
288.29
2.6
1
5
64.99
6
2-[4-Hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1065.20
-1.8
14
23
366.29
15
(2R,3R)-9-(3,4-dihydroxyphenyl)-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
480.40
2.9
5
10
159.05
4
(2R,3R)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-7-phenyl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
448.40
3.6
3
8
118.59
4
(2R,3R)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-7-(4-hydroxyphenyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
464.40
3.3
4
9
138.82
4
(2R,3R)-7-(3,4-dihydroxyphenyl)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
480.40
2.9
5
10
159.05
4
(3S,4R)-3-[(S)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
446.40
3.2
1
9
101.91
8
2-(3-Hydroxy-5-methoxyphenyl) benzofuran-6-ol
256.25
3.2
2
4
62.83
2
Toddalosin
562.60
4.9
1
9
117.57
7
Murranimbine
526.70
8.3
1
2
39.18
0
Curcumalactone
236.35
4.2
0
2
26.3
2
(1R,2S,7R,9R,13R,14S,15S,16S,17S)-13,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
394.50
1.1
2
7
102.29
2
(2S,3S,9S,10S)-9-hydroxy-4-methyl-4-oxido-11,16,18-trioxa-4-azoniapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
331.32
0.2
1
6
88.05
0
7-Hydroxy-2-methylanthraquinone
238.24
2.9
1
3
54.37
0
5,7-Dimethoxynaphthalen-1-ol
204.22
2.8
1
3
38.69
2
Isonicotinamide
122.12
-0.3
1
2
55.98
1
1-Heptadecanol
256.50
7.8
1
1
20.23
15
Ponganone I
366.40
4.5
1
5
64.99
5
1-(5,8-Dimethoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione
366.40
4
0
5
61.83
6
Sophoraflavanone I
650.70
8.1
6
9
156.91
8
(2S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
650.70
8.2
6
9
156.91
7
Hematoxylol
288.25
1.6
4
6
107.22
0
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