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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
Xanthoplanine
356.40
3.1
1
4
47.92
3
(1r,2s)-3-p-Menthen-1,2-diol
170.25
0.9
2
2
40.46
1
(1r,2r)-p-Menth-4(5)-ene-1,2-diol
170.25
1
2
2
40.46
1
trans-p-Menthane-1,4-diol
172.26
1.5
2
2
40.46
1
4-[(1e)-Hexenyl]-cyclopentene
150.26
4
0
0
0
4
1-Propene, 1-(methylthio)-
88.17
1.6
0
1
25.3
1
3-O-[(E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] 1-O-methyl propanedioate
408.60
5.7
1
5
72.83
9
[(E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate
350.50
5.7
1
3
46.53
6
[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate
346.50
5.2
0
3
43.37
6
3-Methylcyclopentene
82.14
2.3
0
0
0
0
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
670.60
-2.4
9
17
267.05
10
NCGC00168892-03_C30H38O17_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[6-deoxy-3-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
670.60
-2.4
9
17
267.05
10
2-[[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol
508.50
-4.3
8
14
220.52
6
3-Methyl-5-propyldithiolane
162.30
2.8
0
2
50.6
2
(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,10-diol
357.40
2.6
2
6
71.39
3
Gymnemic acid IV
764.90
3.8
8
13
223.67
8
Gymnemic acid III
767.00
4
8
13
223.67
9
[(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate
330.50
6.2
0
2
26.3
4
(4aS,8S,8aS)-4,4,7,8a-tetramethyl-8-[(2E)-3-methylpenta-2,4-dienyl]-1,2,3,4a,5,8-hexahydronaphthalene
272.50
7
0
0
0
3
2-Methylcyclopentanone
98.14
1
0
1
17.07
0
2-Methyl-2-cyclopenten-1-one
96.13
0.9
0
1
17.07
0
2,6-Dimethyloct-2-en-4-one
154.25
3.2
0
1
17.07
4
5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
196.29
3.6
0
2
26.3
6
4-Methyl-1,3-dioxane
102.13
0.6
0
2
18.46
0
2,3-Dimethyl-2-cyclopenten-1-one
110.15
0.8
0
1
17.07
0
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