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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.14
Van der Waals volume 329.54
Polar Surface Area 46.15
Van der Waals Surface Area 541.75
Refractivity 96.76

 Top
ELEMENTAL PROPERTIESExact Mass 356.162
Isotope Formula C21H24O5
Dot Disconnected Formula C21H24O5
Dot Disconnected Isotope Formula C21H24O5
Composition C (70.77%), H (6.79%), O (22.45%)
Isotope Composition C (70.77%), H (6.79%), O (22.45%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 53
Chain Atom Count 6
Chain Bond Count 8
Chiral Center Count 4
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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