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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.3
Van der Waals volume 407.07
Polar Surface Area 100.9
Van der Waals Surface Area 630.98
Refractivity 120.94

 Top
ELEMENTAL PROPERTIESExact Mass 426.204
Isotope Formula C25H30O6
Dot Disconnected Formula C25H30O6
Dot Disconnected Isotope Formula C25H30O6
Composition C (70.4%), H (7.09%), O (22.51%)
Isotope Composition C (70.4%), H (7.09%), O (22.51%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 25
Aliphatic Bond Count 26
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 62
Chain Atom Count 21
Chain Bond Count 21
Chiral Center Count 1
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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