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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.84
Van der Waals volume 434.89
Polar Surface Area 73.83
Van der Waals Surface Area 691.92
Refractivity 137.7

 Top
ELEMENTAL PROPERTIESExact Mass 446.246
Isotope Formula C29H34O4
Dot Disconnected Formula C29H34O4
Dot Disconnected Isotope Formula C29H34O4
Composition C (78%), H (7.67%), O (14.33%)
Isotope Composition C (78%), H (7.67%), O (14.33%)
Donor Sites 3
Donor Count 3
Acceptor Sites 3
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count67
Aliphatic Atom Count 18
Aliphatic Bond Count 19
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 69
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 9
Stereo Double Bond Count 2
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 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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