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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.87
Van der Waals volume 600.52
Polar Surface Area 115.06
Van der Waals Surface Area 957.07
Refractivity 173.27

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ELEMENTAL PROPERTIESExact Mass 604.376
Isotope Formula C38H52O6
Dot Disconnected Formula C38H52O6
Dot Disconnected Isotope Formula C38H52O6
Composition C (75.46%), H (8.67%), O (15.87%)
Isotope Composition C (75.46%), H (8.67%), O (15.87%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count96
Aliphatic Atom Count 38
Aliphatic Bond Count 43
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 101
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 8
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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