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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.69
Van der Waals volume 376.92
Polar Surface Area 86.99
Van der Waals Surface Area 604.89
Refractivity 105.19

 Top
ELEMENTAL PROPERTIESExact Mass 390.241
Isotope Formula C23H34O5
Dot Disconnected Formula C23H34O5
Dot Disconnected Isotope Formula C23H34O5
Composition C (70.74%), H (8.78%), O (20.49%)
Isotope Composition C (70.74%), H (8.78%), O (20.49%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 28
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 66
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 9
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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