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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
Sclareapinone
328.40
2.8
1
4
71.44
5
erythro-Austrobailignan-6
328.40
5.2
1
4
47.92
6
Dihydrofurospongin-2
328.40
5.3
0
3
43.35
11
Betulalbuside A
332.39
-0.3
5
7
119.61
8
(1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
334.40
0.4
1
3
43.78
1
N-[3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
395.50
3.2
1
4
77.95
5
2-methylpropyl (9Z,12Z)-octadeca-9,12-dienoate
336.60
8.2
0
2
26.3
17
2-O-Acetyl-trans-coutaric acid
338.27
1
3
9
147.43
9
6-Prenylapigenin
338.40
3.7
3
5
90.9
3
[(2S,3R,4R,5E,9R)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate
338.40
2.6
2
6
93.06
6
(1R,3S,8R,11S,12S,16S,18R)-18-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-ene-6,15-dione
342.50
3.3
1
3
54.37
0
(E)-N-[(2S)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
343.40
2.1
3
5
88.02
7
Royleanonic acid
346.40
3
2
5
91.67
2
(4S,4aR,9E,11bS)-9-(carboxymethylidene)-8-hydroxy-4,11b-dimethyl-1,2,3,4a,5,6,10,11-octahydrocyclohepta[a]naphthalene-4-carboxylic acid
346.40
2.7
3
5
94.83
2
3,5-Dimethoxyphenol
154.16
1.6
1
3
38.69
2
Sophoraisoflavone A
352.30
3.6
3
6
100.13
1
Cuscuta propenamide 2
353.50
5.1
2
3
58.56
9
Glucosyringic acid
360.31
-1
5
10
155.14
6
Alhfwfvpztxdoe-wkppjlgdsa-
360.50
4.3
1
4
59.67
2
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl (E)-2-methylbut-2-enoate
360.50
5.3
0
5
111.02
6
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
264.32
1
3
4
84.58
7
[(3Z,5E,11E)-trideca-3,5,11-trien-7,9-diynyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
362.40
5.2
1
4
55.76
9
(1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(1R)-1,2-dihydroxyethyl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
364.30
-1.3
2
8
118.12
2
vitrofolal D
364.30
3.3
1
6
82.06
4
Alpinumisoflavone dimethyl ether
364.40
4
0
5
57.9
3
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