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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.26
Van der Waals volume 329.2
Polar Surface Area 96.22
Van der Waals Surface Area 455.91
Refractivity 89.47

 Top
ELEMENTAL PROPERTIESExact Mass 362.173
Isotope Formula C20H26O6
Dot Disconnected Formula C20H26O6
Dot Disconnected Isotope Formula C20H26O6
Composition C (66.28%), H (7.23%), O (26.49%)
Isotope Composition C (66.28%), H (7.23%), O (26.49%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 57
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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