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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.06
Van der Waals volume 259.48
Polar Surface Area 38.69
Van der Waals Surface Area 411.1
Refractivity 81.02

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ELEMENTAL PROPERTIESExact Mass 270.126
Isotope Formula C17H18O3
Dot Disconnected Formula C17H18O3
Dot Disconnected Isotope Formula C17H18O3
Composition C (75.53%), H (6.71%), O (17.76%)
Isotope Composition C (75.53%), H (6.71%), O (17.76%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 39
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 5
Stereo Double Bond Count 1
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 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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