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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.34
Van der Waals volume 239.96
Polar Surface Area 83.83
Van der Waals Surface Area 368.69
Refractivity 76.41

 Top
ELEMENTAL PROPERTIESExact Mass 284.068
Isotope Formula C16H12O5
Dot Disconnected Formula C16H12O5
Dot Disconnected Isotope Formula C16H12O5
Composition C (67.6%), H (4.25%), O (28.14%)
Isotope Composition C (67.6%), H (4.25%), O (28.14%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count33
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 35
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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