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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.47
Van der Waals volume 321.97
Polar Surface Area 54.37
Van der Waals Surface Area 543.77
Refractivity 92.62

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ELEMENTAL PROPERTIESExact Mass 316.204
Isotope Formula C20H28O3
Dot Disconnected Formula C20H28O3
Dot Disconnected Isotope Formula C20H28O3
Composition C (75.91%), H (8.92%), O (15.17%)
Isotope Composition C (75.91%), H (8.92%), O (15.17%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 17
Aliphatic Bond Count 18
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 52
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 3
Ring Atom Count 9
Ring Bond Count 9
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
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 3
Smallest Ring System Size 1

 






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