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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6
Van der Waals volume 375.37
Polar Surface Area 96.22
Van der Waals Surface Area 590.83
Refractivity 117.71

 Top
ELEMENTAL PROPERTIESExact Mass 410.173
Isotope Formula C24H26O6
Dot Disconnected Formula C24H26O6
Dot Disconnected Isotope Formula C24H26O6
Composition C (70.23%), H (6.38%), O (23.39%)
Isotope Composition C (70.23%), H (6.38%), O (23.39%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 16
Aliphatic Bond Count 16
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 58
Chain Atom Count 16
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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