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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.86
Van der Waals volume 385.03
Polar Surface Area 107.22
Van der Waals Surface Area 588.14
Refractivity 123.38

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ELEMENTAL PROPERTIESExact Mass 422.173
Isotope Formula C25H26O6
Dot Disconnected Formula C25H26O6
Dot Disconnected Isotope Formula C25H26O6
Composition C (71.07%), H (6.2%), O (22.72%)
Isotope Composition C (71.07%), H (6.2%), O (22.72%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 59
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 5
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.