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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.63
Van der Waals volume 293.32
Polar Surface Area 63.22
Van der Waals Surface Area 455.35
Refractivity 91.16

 Top
ELEMENTAL PROPERTIESExact Mass 352.095
Isotope Formula C20H16O6
Dot Disconnected Formula C20H16O6
Dot Disconnected Isotope Formula C20H16O6
Composition C (68.18%), H (4.58%), O (27.25%)
Isotope Composition C (68.18%), H (4.58%), O (27.25%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 14
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 46
Chain Atom Count 3
Chain Bond Count 5
Chiral Center Count 1
Ring Atom Count 23
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 1
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.