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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
Cyclomethicone 5
370.77
0
5
46.15
0
Coeloginanthrin
286.28
3.3
3
5
79.15
2
5-Hydroxy-7,2'-dimethoxyflavone
298.29
2.4
1
5
68.9
3
acerogenin B
298.40
4.1
2
3
49.69
0
(2R,4aS,10aR)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
302.50
5.2
2
2
40.46
1
(8E)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
308.40
4.2
0
3
35.53
1
1-(2,4-Dihydroxy-3-prenylphenyl)-3-(4-hydroxyphenyl)propane
312.40
5.5
3
3
60.69
6
(1'S,2R,4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,6'-cyclohex-2-ene]-1'-ol
315.40
2.4
1
4
41.93
2
5-(beta-D-glucopyranosyloxy)-2-hydroxybenzoic acid
316.26
-0.8
6
9
156.91
4
(+)-Condylocarpine
322.40
2.3
1
4
41.57
2
Phyllaemblic acid C
332.35
-1.5
5
8
136.68
3
Pyrrolidine, 1-(1-oxo-2,4-octadecadienyl)-, (E,E)-
333.60
8.1
0
1
20.31
14
Acronyculatin C
334.40
4.8
2
5
83.83
7
acanthokoreoic acid A
334.40
3
2
4
74.6
2
Brosimacutin D
340.40
2.6
2
5
75.99
1
D-myo-Inositol, 3-O-alpha-D-galactopyranosyl-
342.30
-5.3
9
11
200.53
3
Citrusin D
342.34
-0.3
5
8
128.84
6
(3R,5R)-1,7-bis(4-methoxyphenyl)heptane-3,5-diol
344.40
3.9
2
4
58.92
10
[(1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-pyrrolidin-1-ylmethanone
353.50
4.6
0
3
38.77
2
(2R,3S,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
356.40
3.2
0
5
53.99
6
5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
366.40
3.9
2
6
89.13
2
Suchilactone
368.40
3.7
0
6
63.22
5
(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5R,8R)-3-hydroxy-8-[(3R)-3-hydroxybutyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
406.50
-1.2
6
9
149.07
6
Garcimangosone C
412.40
4.4
4
7
120.36
2
(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one
415.50
2.7
0
7
74.3
2
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