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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.01
Van der Waals volume 275.2
Polar Surface Area 40.46
Van der Waals Surface Area 438.22
Refractivity 83.19

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ELEMENTAL PROPERTIESExact Mass 272.178
Isotope Formula C18H24O2
Dot Disconnected Formula C18H24O2
Dot Disconnected Isotope Formula C18H24O2
Composition C (79.37%), H (8.88%), O (11.75%)
Isotope Composition C (79.37%), H (8.88%), O (11.75%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count44
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 46
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 3
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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