NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.47
Van der Waals volume 335.66
Polar Surface Area 60.44
Van der Waals Surface Area 539.98
Refractivity 98.08

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ELEMENTAL PROPERTIESExact Mass 344.199
Isotope Formula C21H28O4
Dot Disconnected Formula C21H28O4
Dot Disconnected Isotope Formula C21H28O4
Composition C (73.23%), H (8.19%), O (18.58%)
Isotope Composition C (73.23%), H (8.19%), O (18.58%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 25
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 55
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 3
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.