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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.02
Van der Waals volume 518.01
Polar Surface Area 63.6
Van der Waals Surface Area 856.68
Refractivity 142.85

 Top
ELEMENTAL PROPERTIESExact Mass 498.371
Isotope Formula C32H50O4
Dot Disconnected Formula C32H50O4
Dot Disconnected Isotope Formula C32H50O4
Composition C (77.06%), H (10.1%), O (12.83%)
Isotope Composition C (77.06%), H (10.1%), O (12.83%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 36
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 90
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 10
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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