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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.68
Van der Waals volume 861.12
Polar Surface Area 274.75
Van der Waals Surface Area 1364.71
Refractivity 225.13

 Top
ELEMENTAL PROPERTIESExact Mass 912.508
Isotope Formula C47H76O17
Dot Disconnected Formula C47H76O17
Dot Disconnected Isotope Formula C47H76O17
Composition C (61.82%), H (8.39%), O (29.79%)
Isotope Composition C (61.82%), H (8.39%), O (29.79%)
Donor Sites 10
Donor Count 10
Acceptor Sites 18
Acceptor Count 17


Top
TOPOLOGICAL PROPERTIESAtom Count140
Aliphatic Atom Count 64
Aliphatic Bond Count 71
Aromatic Bond Count 0
Asymmetric Atom Count 23
Bond Count 147
Chain Atom Count 24
Chain Bond Count 27
Chiral Center Count 23
Ring Atom Count 40
Ring Bond Count 44
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 6
Smallest Ring System Size 1

 






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