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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.91
Van der Waals volume 248.37
Polar Surface Area 20.23
Van der Waals Surface Area 419.62
Refractivity 72.19

 Top
ELEMENTAL PROPERTIESExact Mass 222.198
Isotope Formula C15H26O
Dot Disconnected Formula C15H26O
Dot Disconnected Isotope Formula C15H26O
Composition C (81.02%), H (11.79%), O (7.2%)
Isotope Composition C (81.02%), H (11.79%), O (7.2%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


Top
TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 16
Aliphatic Bond Count 16
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 42
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 2
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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