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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
(5R)-2,6,9-humulatrien-5-ol-8-one
234.33
2.8
1
2
37.3
0
cyperusol B2
236.35
2.7
1
2
37.3
6
Iriflophenone
246.21
2.4
4
5
97.99
2
(2S,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
248.32
2.9
2
3
49.69
2
(4aR,8aS,9aR)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
248.32
2.1
1
3
46.53
0
cyperusol D
252.35
2.3
2
3
57.53
1
8-[(2R,3S)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-ol
262.40
4.6
1
2
32.76
9
(3S,3aS,6R,6aR,9S,9aR,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
266.33
1.3
1
4
63.6
0
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E,3E,5E)-3-methyl-7-oxoocta-1,3,5-trienyl]cyclohex-2-en-1-one
288.40
2.4
1
3
54.37
4
Rhazinilam
294.40
2.9
1
1
34.03
1
(1S,2R)-1-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]propane-1,3-diol
300.30
2.5
4
4
80.92
6
(4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
312.40
5.7
0
2
26.3
2
1-(4-Hydroxy-3-methoxyphenyl)decan-3-yl acetate
322.40
5.5
1
4
55.76
12
3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
332.26
-1.7
7
10
177.14
4
(1S,4S,6S,10R,14E)-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
332.40
2.3
1
4
59.06
2
Phlogacanatholide B
332.40
1.9
2
4
66.76
1
Suregadolide C
348.40
1.4
3
5
86.99
0
Epiasarinin
354.40
2.7
0
6
55.38
2
1,2,4-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
379.40
4.2
0
6
49.39
3
Sacidumlignan B
386.40
3.9
2
6
77.38
5
5-[4-(3-Hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
390.50
4.9
2
6
77.38
9
4,4'-Diapo-zeta-carotene
404.70
11.7
0
0
0
12
Cowaxanthone B
424.50
6.6
2
6
89.13
6
(1S,2S,5S,14S,15R,18R,19S)-10-methoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7(12),8,10-trien-20-one
424.60
6.1
0
4
44.76
1
[(1S,8S,11S,13R,16S,17R,18S,19R)-17-acetyloxy-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-16-yl] acetate
446.50
2.5
1
8
112.27
4
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