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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.41
Van der Waals volume 404.48
Polar Surface Area 80.67
Van der Waals Surface Area 635.42
Refractivity 117.94

 Top
ELEMENTAL PROPERTIESExact Mass 402.241
Isotope Formula C24H34O5
Dot Disconnected Formula C24H34O5
Dot Disconnected Isotope Formula C24H34O5
Composition C (71.61%), H (8.51%), O (19.87%)
Isotope Composition C (71.61%), H (8.51%), O (19.87%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 29
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 3
Bond Count 63
Chain Atom Count 22
Chain Bond Count 22
Chiral Center Count 3
Ring Atom Count 7
Ring Bond Count 7
Rotatable Bond Count 10
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 7
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 7
Smallest Ring System Size 1

 






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