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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.78
Van der Waals volume 599.04
Polar Surface Area 100.9
Van der Waals Surface Area 946.4
Refractivity 177.98

 Top
ELEMENTAL PROPERTIESExact Mass 602.361
Isotope Formula C38H50O6
Dot Disconnected Formula C38H50O6
Dot Disconnected Isotope Formula C38H50O6
Composition C (75.71%), H (8.36%), O (15.93%)
Isotope Composition C (75.71%), H (8.36%), O (15.93%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count94
Aliphatic Atom Count 38
Aliphatic Bond Count 41
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 97
Chain Atom Count 25
Chain Bond Count 26
Chiral Center Count 4
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
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.