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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.75
Van der Waals volume 318.57
Polar Surface Area 60.69
Van der Waals Surface Area 546.89
Refractivity 84.98

 Top
ELEMENTAL PROPERTIESExact Mass 286.251
Isotope Formula C17H34O3
Dot Disconnected Formula C17H34O3
Dot Disconnected Isotope Formula C17H34O3
Composition C (71.28%), H (11.96%), O (16.76%)
Isotope Composition C (71.28%), H (11.96%), O (16.76%)
Donor Sites 3
Donor Count 3
Acceptor Sites 3
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 20
Aliphatic Bond Count 19
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 53
Chain Atom Count 20
Chain Bond Count 19
Chiral Center Count 2
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 15
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
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 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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