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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.62
Van der Waals volume 455.37
Polar Surface Area 182.58
Van der Waals Surface Area 720.02
Refractivity 128.48

 Top
ELEMENTAL PROPERTIESExact Mass 560.117
Isotope Formula C26H24O14
Dot Disconnected Formula C26H24O14
Dot Disconnected Isotope Formula C26H24O14
Composition C (55.72%), H (4.32%), O (39.97%)
Isotope Composition C (55.72%), H (4.32%), O (39.97%)
Donor Sites 2
Donor Count 2
Acceptor Sites 14
Acceptor Count 10


Top
TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 24
Aliphatic Bond Count 25
Aromatic Bond Count 19
Asymmetric Atom Count 5
Bond Count 68
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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