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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.2
Van der Waals volume 343.4
Polar Surface Area 47.92
Van der Waals Surface Area 567.89
Refractivity 100.07

 Top
ELEMENTAL PROPERTIESExact Mass 344.199
Isotope Formula C21H28O4
Dot Disconnected Formula C21H28O4
Dot Disconnected Isotope Formula C21H28O4
Composition C (73.23%), H (8.19%), O (18.58%)
Isotope Composition C (73.23%), H (8.19%), O (18.58%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 13
Aliphatic Bond Count 14
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 54
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 2
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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