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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
Episesaminol
370.40
2.3
1
7
75.61
2
Benzyl isoferulate
284.31
3.3
1
4
55.76
6
3,4-Dimethoxy-5-hydroxybenzaldehyde
182.17
1
1
4
55.76
3
1,2-Dimethoxycyclohexane
144.21
1.3
0
2
18.46
2
2-Deoxybrassinolide
464.70
5.8
3
5
86.99
5
7-Oxotyphasterol
464.70
5.8
3
5
86.99
5
2-(4-(Pyrrolidin-1-yl)phenyl)acetic acid
205.25
2
1
3
40.54
3
(+)-5,5'-Dimethoxylariciresinol
420.50
2.3
3
8
106.84
8
2,4'-Dihydroxy-4-methoxydihydrochalcone
272.29
2.8
2
4
66.76
5
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
270.28
2.5
1
4
55.76
2
3',4'-Dihydroxy-7-methoxyflavan
272.29
3.1
2
4
58.92
2
7,4'-Dihydroxy-3'-methoxyflavan
272.29
3.1
2
4
58.92
2
Loureirin C
272.29
2.8
2
4
66.76
5
6-Acetyloxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
418.40
-1.1
5
11
172.21
6
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-, (2S)-
316.30
2.7
2
6
85.22
3
Patuletin 7-glucoside
494.40
0.3
8
13
219.74
5
methyl (4R,5E,6S)-5-(2-hydroxyethylidene)-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
434.40
-2.9
5
12
181.44
9
(1R,3S,4R,5S)-1,3,4-Trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexane-1-carboxylic acid
338.31
-0.1
5
8
144.52
5
(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
338.31
-0.1
5
8
144.52
5
3-O-p-Coumaroylquinic acid
338.31
-0.1
5
8
144.52
5
Hydroxytyrosol 4'-O-glucoside
316.30
-1.3
6
8
139.84
5
1-o-p-Coumaroyl-beta-d-glucose
326.30
0.1
5
8
136.68
5
1-O-(4-Coumaroyl)-beta-D-glucose
326.30
0.1
5
8
136.68
5
(4Z)-4-[(7R)-7-(2-hydroxy-4-methoxyphenyl)-4-(4-hydroxyphenyl)-7,8-dihydro-6H-pyrano[3,2-g]chromen-2-ylidene]-3-methoxycyclohexa-2,5-dien-1-one
522.50
4.8
2
7
94.45
4
Dehydrololiolide, (R)-
194.23
0.6
0
3
43.37
0
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