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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.9
Van der Waals volume 231.21
Polar Surface Area 77.76
Van der Waals Surface Area 364.59
Refractivity 71.73

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ELEMENTAL PROPERTIESExact Mass 258.089
Isotope Formula C15H14O4
Dot Disconnected Formula C15H14O4
Dot Disconnected Isotope Formula C15H14O4
Composition C (69.76%), H (5.46%), O (24.78%)
Isotope Composition C (69.76%), H (5.46%), O (24.78%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count33
Aliphatic Atom Count 7
Aliphatic Bond Count 8
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 34
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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