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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.46
Van der Waals volume 553.33
Polar Surface Area 134.66
Van der Waals Surface Area 874.93
Refractivity 156.84

 Top
ELEMENTAL PROPERTIESExact Mass 606.247
Isotope Formula C34H38O10
Dot Disconnected Formula C34H38O10
Dot Disconnected Isotope Formula C34H38O10
Composition C (67.31%), H (6.31%), O (26.37%)
Isotope Composition C (67.31%), H (6.31%), O (26.37%)
Donor Sites 1
Donor Count 1
Acceptor Sites 10
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 32
Aliphatic Bond Count 36
Aromatic Bond Count 12
Asymmetric Atom Count 7
Bond Count 86
Chain Atom Count 20
Chain Bond Count 22
Chiral Center Count 7
Ring Atom Count 24
Ring Bond Count 26
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 4
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 2
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 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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