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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.08
Van der Waals volume 220.63
Polar Surface Area 26.3
Van der Waals Surface Area 325.25
Refractivity 65.97

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ELEMENTAL PROPERTIESExact Mass 230.131
Isotope Formula C15H18O2
Dot Disconnected Formula C15H18O2
Dot Disconnected Isotope Formula C15H18O2
Composition C (78.23%), H (7.88%), O (13.89%)
Isotope Composition C (78.23%), H (7.88%), O (13.89%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 17
Aliphatic Bond Count 19
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 37
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 4
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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