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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.43
Van der Waals volume 291.2
Polar Surface Area 34.14
Van der Waals Surface Area 432.97
Refractivity 90.4

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ELEMENTAL PROPERTIESExact Mass 296.178
Isotope Formula C20H24O2
Dot Disconnected Formula C20H24O2
Dot Disconnected Isotope Formula C20H24O2
Composition C (81.04%), H (8.16%), O (10.8%)
Isotope Composition C (81.04%), H (8.16%), O (10.8%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 48
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 4
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
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 7
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.