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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.99
Van der Waals volume 318.2
Polar Surface Area 85.22
Van der Waals Surface Area 494.28
Refractivity 97.4

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ELEMENTAL PROPERTIESExact Mass 356.126
Isotope Formula C20H20O6
Dot Disconnected Formula C20H20O6
Dot Disconnected Isotope Formula C20H20O6
Composition C (67.41%), H (5.66%), O (26.94%)
Isotope Composition C (67.41%), H (5.66%), O (26.94%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 48
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 2
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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