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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.91
Van der Waals volume 321.62
Polar Surface Area 68.15
Van der Waals Surface Area 526.87
Refractivity 94.95

 Top
ELEMENTAL PROPERTIESExact Mass 344.162
Isotope Formula C20H24O5
Dot Disconnected Formula C20H24O5
Dot Disconnected Isotope Formula C20H24O5
Composition C (69.75%), H (7.02%), O (23.23%)
Isotope Composition C (69.75%), H (7.02%), O (23.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count49
Aliphatic Atom Count 13
Aliphatic Bond Count 15
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 51
Chain Atom Count 8
Chain Bond Count 10
Chiral Center Count 4
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 4
Stereo Double Bond Count 0
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 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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