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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.92
Van der Waals volume 268.12
Polar Surface Area 40.46
Van der Waals Surface Area 390.64
Refractivity 82.82

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ELEMENTAL PROPERTIESExact Mass 258.162
Isotope Formula C17H22O2
Dot Disconnected Formula C17H22O2
Dot Disconnected Isotope Formula C17H22O2
Composition C (79.03%), H (8.58%), O (12.39%)
Isotope Composition C (79.03%), H (8.58%), O (12.39%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count41
Aliphatic Atom Count 19
Aliphatic Bond Count 18
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 40
Chain Atom Count 19
Chain Bond Count 18
Chiral Center Count 2
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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