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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.72
Van der Waals volume 274.2
Polar Surface Area 85.22
Van der Waals Surface Area 434.08
Refractivity 82.62

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ELEMENTAL PROPERTIESExact Mass 316.095
Isotope Formula C17H16O6
Dot Disconnected Formula C17H16O6
Dot Disconnected Isotope Formula C17H16O6
Composition C (64.55%), H (5.1%), O (30.35%)
Isotope Composition C (64.55%), H (5.1%), O (30.35%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 11
Aliphatic Bond Count 13
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 41
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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