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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.59
Van der Waals volume 572.28
Polar Surface Area 120.75
Van der Waals Surface Area 874.88
Refractivity 170.1

 Top
ELEMENTAL PROPERTIESExact Mass 628.267
Isotope Formula C37H40O9
Dot Disconnected Formula C37H40O9
Dot Disconnected Isotope Formula C37H40O9
Composition C (70.68%), H (6.41%), O (22.9%)
Isotope Composition C (70.68%), H (6.41%), O (22.9%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 34
Aliphatic Bond Count 40
Aromatic Bond Count 12
Asymmetric Atom Count 8
Bond Count 92
Chain Atom Count 16
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 30
Ring Bond Count 34
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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