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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.78
Van der Waals volume 745.72
Polar Surface Area 148.82
Van der Waals Surface Area 1229.51
Refractivity 205.04

 Top
ELEMENTAL PROPERTIESExact Mass 744.481
Isotope Formula C43H68O10
Dot Disconnected Formula C43H68O10
Dot Disconnected Isotope Formula C43H68O10
Composition C (69.32%), H (9.2%), O (21.48%)
Isotope Composition C (69.32%), H (9.2%), O (21.48%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count121
Aliphatic Atom Count 53
Aliphatic Bond Count 56
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 124
Chain Atom Count 35
Chain Bond Count 36
Chiral Center Count 13
Ring Atom Count 18
Ring Bond Count 20
Rotatable Bond Count 16
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
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 5
Smallest Ring System Size 1

 






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