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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.99
Van der Waals volume 591.72
Polar Surface Area 91.67
Van der Waals Surface Area 920.64
Refractivity 174.7

 Top
ELEMENTAL PROPERTIESExact Mass 586.366
Isotope Formula C38H50O5
Dot Disconnected Formula C38H50O5
Dot Disconnected Isotope Formula C38H50O5
Composition C (77.78%), H (8.59%), O (13.63%)
Isotope Composition C (77.78%), H (8.59%), O (13.63%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count93
Aliphatic Atom Count 37
Aliphatic Bond Count 40
Aromatic Bond Count 6
Asymmetric Atom Count 6
Bond Count 96
Chain Atom Count 27
Chain Bond Count 28
Chiral Center Count 6
Ring Atom Count 16
Ring Bond Count 18
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
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 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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