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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.94
Van der Waals volume 163.33
Polar Surface Area 20.23
Van der Waals Surface Area 260.82
Refractivity 48.25

Top
ELEMENTAL PROPERTIESExact Mass 152.12
Isotope Formula C10H16O
Dot Disconnected Formula C10H16O
Dot Disconnected Isotope Formula C10H16O
Composition C (78.9%), H (10.59%), O (10.51%)
Isotope Composition C (78.9%), H (10.59%), O (10.51%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


Top
TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 11
Aliphatic Bond Count 11
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 27
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 1
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 2
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.