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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.69
Van der Waals volume 249.25
Polar Surface Area 66.76
Van der Waals Surface Area 399.54
Refractivity 76.21

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ELEMENTAL PROPERTIESExact Mass 272.105
Isotope Formula C16H16O4
Dot Disconnected Formula C16H16O4
Dot Disconnected Isotope Formula C16H16O4
Composition C (70.57%), H (5.92%), O (23.5%)
Isotope Composition C (70.57%), H (5.92%), O (23.5%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 5
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.