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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.46
Van der Waals volume 230.58
Polar Surface Area 107.22
Van der Waals Surface Area 337.48
Refractivity 74.88

Top
ELEMENTAL PROPERTIESExact Mass 286.048
Isotope Formula C15H10O6
Dot Disconnected Formula C15H10O6
Dot Disconnected Isotope Formula C15H10O6
Composition C (62.94%), H (3.52%), O (33.54%)
Isotope Composition C (62.94%), H (3.52%), O (33.54%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 5
Aliphatic Bond Count 6
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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