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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.45
Van der Waals volume 296.79
Polar Surface Area 55.38
Van der Waals Surface Area 471.08
Refractivity 89.75

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ELEMENTAL PROPERTIESExact Mass 354.11
Isotope Formula C20H18O6
Dot Disconnected Formula C20H18O6
Dot Disconnected Isotope Formula C20H18O6
Composition C (67.79%), H (5.12%), O (27.09%)
Isotope Composition C (67.79%), H (5.12%), O (27.09%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 14
Aliphatic Bond Count 19
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 49
Chain Atom Count 0
Chain Bond Count 2
Chiral Center Count 4
Ring Atom Count 26
Ring Bond Count 29
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 2

 






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