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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.74
Van der Waals volume 347.14
Polar Surface Area 40.46
Van der Waals Surface Area 590.76
Refractivity 100.59

 Top
ELEMENTAL PROPERTIESExact Mass 318.256
Isotope Formula C21H34O2
Dot Disconnected Formula C21H34O2
Dot Disconnected Isotope Formula C21H34O2
Composition C (79.19%), H (10.76%), O (10.05%)
Isotope Composition C (79.19%), H (10.76%), O (10.05%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


Top
TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 17
Aliphatic Bond Count 17
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 57
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 13
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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