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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.33
Van der Waals volume 341.55
Polar Surface Area 99.38
Van der Waals Surface Area 560.93
Refractivity 99.29

 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 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 14
Aliphatic Bond Count 15
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 53
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 2
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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