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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.34
Van der Waals volume 271.86
Polar Surface Area 37.3
Van der Waals Surface Area 454.45
Refractivity 83.23

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ELEMENTAL PROPERTIESExact Mass 270.162
Isotope Formula C18H22O2
Dot Disconnected Formula C18H22O2
Dot Disconnected Isotope Formula C18H22O2
Composition C (79.96%), H (8.2%), O (11.84%)
Isotope Composition C (79.96%), H (8.2%), O (11.84%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 10
Aliphatic Bond Count 10
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 43
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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