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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.83
Van der Waals volume 296.06
Polar Surface Area 58.92
Van der Waals Surface Area 453.22
Refractivity 92.97

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ELEMENTAL PROPERTIESExact Mass 324.136
Isotope Formula C20H20O4
Dot Disconnected Formula C20H20O4
Dot Disconnected Isotope Formula C20H20O4
Composition C (74.06%), H (6.21%), O (19.73%)
Isotope Composition C (74.06%), H (6.21%), O (19.73%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 12
Aliphatic Bond Count 15
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 47
Chain Atom Count 4
Chain Bond Count 5
Chiral Center Count 3
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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