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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-Methylhept-3-en-2-one
126.20
2.1
0
1
17.07
3
3-Methylbut-3-enyl beta-d-glucopyranoside
248.27
-0.5
4
6
99.38
5
L-Citronellol glucoside
318.41
1.6
4
6
99.38
8
1-(5-hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
310.50
5.4
2
2
40.46
5
CID 14239432
310.50
5.4
2
2
40.46
5
(4aS,7S,8aS,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene
272.50
7
0
0
0
1
9-Hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one
235.28
0.2
1
4
49.77
0
Lapiferin
394.50
3.3
1
6
85.36
6
Hypargenin B
316.40
4.7
2
3
57.53
1
(4R,6S,9S,10S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
398.60
5.7
0
0
0
0
3,5,8a-Trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol
234.33
3.2
1
2
33.37
0
(4aR,5R,8aR)-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol
234.33
3.2
1
2
33.37
0
4-Methoxy-5-(4-methoxy-1-methyl-2,5,6-trioxopyridin-3-yl)-1-methylpyridine-2,3,6-trione
336.25
-1.2
0
8
127.36
3
Curcumol
236.35
2.8
1
2
29.46
1
[4,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
666.70
2.8
1
13
178.03
13
CID 14240939
413.60
5.3
1
3
40.54
0
12alpha-Hydroxyevodol
500.50
0.1
2
10
145.03
1
1,3-Dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
280.40
3.6
0
3
27.69
2
[(1R,4aS,8R,8aS)-7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
396.50
4
1
5
80.67
6
N'-Formylanatabine
188.23
0.9
0
2
33.2
1
Pulchellin C
264.32
0.9
2
4
66.76
0
(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
622.80
2.9
6
9
149.07
4
phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-
272.50
6.3
0
0
0
1
Palustradienal
286.50
4.4
0
1
17.07
2
Hept-3-en-2-one
112.17
1.7
0
1
17.07
3
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