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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 15.4
Van der Waals volume 812
Polar Surface Area 96.22
Van der Waals Surface Area 1349.22
Refractivity 234.97

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ELEMENTAL PROPERTIESExact Mass 772.564
Isotope Formula C50H76O6
Dot Disconnected Formula C50H76O6
Dot Disconnected Isotope Formula C50H76O6
Composition C (77.68%), H (9.91%), O (12.42%)
Isotope Composition C (77.68%), H (9.91%), O (12.42%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count132
Aliphatic Atom Count 40
Aliphatic Bond Count 41
Aromatic Bond Count 17
Asymmetric Atom Count 2
Bond Count 134
Chain Atom Count 40
Chain Bond Count 41
Chiral Center Count 2
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 31
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.