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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.37
Van der Waals volume 334.37
Polar Surface Area 40.46
Van der Waals Surface Area 533
Refractivity 100.94

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ELEMENTAL PROPERTIESExact Mass 314.225
Isotope Formula C21H30O2
Dot Disconnected Formula C21H30O2
Dot Disconnected Isotope Formula C21H30O2
Composition C (80.21%), H (9.62%), O (10.18%)
Isotope Composition C (80.21%), H (9.62%), O (10.18%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 17
Aliphatic Bond Count 17
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 53
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 1
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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