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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.3
Van der Waals volume 528.36
Polar Surface Area 147.68
Van der Waals Surface Area 807
Refractivity 168.02

 Top
ELEMENTAL PROPERTIESExact Mass 582.225
Isotope Formula C35H34O8
Dot Disconnected Formula C35H34O8
Dot Disconnected Isotope Formula C35H34O8
Composition C (72.15%), H (5.88%), O (21.97%)
Isotope Composition C (72.15%), H (5.88%), O (21.97%)
Donor Sites 6
Donor Count 6
Acceptor Sites 9
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count77
Aliphatic Atom Count 19
Aliphatic Bond Count 22
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 80
Chain Atom Count 19
Chain Bond Count 22
Chiral Center Count 2
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 12
Stereo Double Bond Count 2
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
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 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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