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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.14
Van der Waals volume 282.68
Polar Surface Area 125.68
Van der Waals Surface Area 432.21
Refractivity 87.81

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ELEMENTAL PROPERTIESExact Mass 346.069
Isotope Formula C17H14O8
Dot Disconnected Formula C17H14O8
Dot Disconnected Isotope Formula C17H14O8
Composition C (58.96%), H (4.07%), O (36.96%)
Isotope Composition C (58.96%), H (4.07%), O (36.96%)
Donor Sites 4
Donor Count 4
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 9
Aliphatic Bond Count 10
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 41
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
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.