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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.28
Van der Waals volume 289.06
Polar Surface Area 75.99
Van der Waals Surface Area 432.26
Refractivity 94.1

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ELEMENTAL PROPERTIESExact Mass 336.1
Isotope Formula C20H16O5
Dot Disconnected Formula C20H16O5
Dot Disconnected Isotope Formula C20H16O5
Composition C (71.42%), H (4.79%), O (23.78%)
Isotope Composition C (71.42%), H (4.79%), O (23.78%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 44
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
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.