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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.18
Van der Waals volume 676.94
Polar Surface Area 128.59
Van der Waals Surface Area 1111.23
Refractivity 187.97

Top
ELEMENTAL PROPERTIESExact Mass 694.408
Isotope Formula C41H58O9
Dot Disconnected Formula C41H58O9
Dot Disconnected Isotope Formula C41H58O9
Composition C (70.87%), H (8.41%), O (20.72%)
Isotope Composition C (70.87%), H (8.41%), O (20.72%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count108
Aliphatic Atom Count 44
Aliphatic Bond Count 49
Aromatic Bond Count 6
Asymmetric Atom Count 12
Bond Count 113
Chain Atom Count 20
Chain Bond Count 22
Chiral Center Count 12
Ring Atom Count 30
Ring Bond Count 33
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 5
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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