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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
(7aR,11aS)-3-(3,4-dihydroxyphenyl)-6-hydroxy-8,8,11a-trimethyl-7a,9,10,11-tetrahydro-7H-pyrano[2,3-c]xanthen-1-one
422.50
4.8
3
6
100.13
1
2,5-Dimethyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)benzene-1,4-diol
416.70
11
2
2
40.46
14
Anemarsaponin B
903.10
0.9
11
18
287.14
13
2,2,6,6-Tetramethyl-4-piperidone
155.24
0.5
1
2
29.1
0
(3E,4S)-3-[2-[(2aR,4aS,5R,8aS,8bR)-4a,8b-dimethyl-6-methylidene-1,2a,3,4,5,7,8,8a-octahydronaphtho[2,1-b]oxet-5-yl]ethylidene]-4-hydroxyoxolan-2-one
332.40
2.6
1
4
55.76
2
(1S,4aR,4bR,5R,6S,7S,8aR,10aR)-2-ethenyl-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
334.40
2.4
3
4
77.76
1
(1S,4aR,4bR,5S,7R,8aR,10aR)-5,7-dihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
318.40
3.3
2
3
57.53
1
(4S,4aR,4bR,8S,8aR,10aS)-4-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-1,3,4,4a,4b,8,8a,9,10,10a-decahydrophenanthrene-2,5-dione
316.40
3
1
3
54.37
1
2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
624.60
-0.5
9
15
245.29
11
Epoxy-linalool oxide
184.23
1.5
1
3
45.29
4
Dihydro-feruloyltyramine
315.40
2.4
3
4
78.79
6
Esculentagenin
546.70
3.4
4
8
141.36
4
Esculentoside M
1003.10
-2
12
22
358.58
12
Hexamethoxy flavanone
404.40
2.3
0
8
81.68
7
Cyclohexylbenzene
160.25
4.9
0
0
0
1
2-Vinylnaphthalene
154.21
4.3
0
0
0
1
(4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
6.6
2
4
74.6
1
3-[(1R,4R,6S,9S,10R,13R,14R)-6-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
516.70
3.6
1
7
91.29
4
2-Acetyl-4-methylfuran
124.14
1.4
0
2
30.21
1
(1R,4S,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
220.35
3.6
0
1
12.53
0
Caryophyllene oxide 2
220.35
3.6
0
1
12.53
0
(2s)-2-Acetoxynonane
186.29
4
0
2
26.3
8
2-[3-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
626.60
5.1
8
11
205.21
5
(2S)-2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
626.60
5.1
8
11
205.21
5
Rubilactone
270.24
3.2
1
5
76.74
2
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