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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.99
Van der Waals volume 311.93
Polar Surface Area 57.15
Van der Waals Surface Area 502.23
Refractivity 92.27

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ELEMENTAL PROPERTIESExact Mass 342.147
Isotope Formula C20H22O5
Dot Disconnected Formula C20H22O5
Dot Disconnected Isotope Formula C20H22O5
Composition C (70.16%), H (6.48%), O (23.36%)
Isotope Composition C (70.16%), H (6.48%), O (23.36%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 13
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 50
Chain Atom Count 5
Chain Bond Count 7
Chiral Center Count 4
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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