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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.46
Van der Waals volume 296.55
Polar Surface Area 76.36
Van der Waals Surface Area 462.04
Refractivity 94.76

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ELEMENTAL PROPERTIESExact Mass 366.074
Isotope Formula C20H14O7
Dot Disconnected Formula C20H14O7
Dot Disconnected Isotope Formula C20H14O7
Composition C (65.57%), H (3.85%), O (30.57%)
Isotope Composition C (65.57%), H (3.85%), O (30.57%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 8
Aliphatic Bond Count 10
Aromatic Bond Count 21
Asymmetric Atom Count 0
Bond Count 45
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 2

 






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