NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 12.85
Van der Waals volume 766.78
Polar Surface Area 78.9
Van der Waals Surface Area 1220.37
Refractivity 227.23

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ELEMENTAL PROPERTIESExact Mass 770.455
Isotope Formula C51H62O6
Dot Disconnected Formula C51H62O6
Dot Disconnected Isotope Formula C51H62O6
Composition C (79.44%), H (8.1%), O (12.45%)
Isotope Composition C (79.44%), H (8.1%), O (12.45%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 39
Aliphatic Bond Count 45
Aromatic Bond Count 18
Asymmetric Atom Count 10
Bond Count 125
Chain Atom Count 22
Chain Bond Count 25
Chiral Center Count 10
Ring Atom Count 35
Ring Bond Count 38
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 3
Carbo Ring Count 7
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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