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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.06
Van der Waals volume 377.65
Polar Surface Area 61.83
Van der Waals Surface Area 580.37
Refractivity 131.04

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ELEMENTAL PROPERTIESExact Mass 416.162
Isotope Formula C26H24O5
Dot Disconnected Formula C26H24O5
Dot Disconnected Isotope Formula C26H24O5
Composition C (74.98%), H (5.81%), O (19.21%)
Isotope Composition C (74.98%), H (5.81%), O (19.21%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 58
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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