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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.08
Van der Waals volume 299.26
Polar Surface Area 46.15
Van der Waals Surface Area 484.52
Refractivity 89.6

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ELEMENTAL PROPERTIESExact Mass 340.131
Isotope Formula C20H20O5
Dot Disconnected Formula C20H20O5
Dot Disconnected Isotope Formula C20H20O5
Composition C (70.57%), H (5.92%), O (23.5%)
Isotope Composition C (70.57%), H (5.92%), O (23.5%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count45
Aliphatic Atom Count 13
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 49
Chain Atom Count 2
Chain Bond Count 4
Chiral Center Count 4
Ring Atom Count 23
Ring Bond Count 25
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 3
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 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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