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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.65
Van der Waals volume 322.54
Polar Surface Area 36.92
Van der Waals Surface Area 529.28
Refractivity 99.33

 Top
ELEMENTAL PROPERTIESExact Mass 340.167
Isotope Formula C21H24O4
Dot Disconnected Formula C21H24O4
Dot Disconnected Isotope Formula C21H24O4
Composition C (74.09%), H (7.11%), O (18.8%)
Isotope Composition C (74.09%), H (7.11%), O (18.8%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 13
Aliphatic Bond Count 15
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 51
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 2
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
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.