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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.88
Van der Waals volume 270.76
Polar Surface Area 68.15
Van der Waals Surface Area 439.36
Refractivity 81.89

 Top
ELEMENTAL PROPERTIESExact Mass 302.115
Isotope Formula C17H18O5
Dot Disconnected Formula C17H18O5
Dot Disconnected Isotope Formula C17H18O5
Composition C (67.54%), H (6%), O (26.46%)
Isotope Composition C (67.54%), H (6%), O (26.46%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count40
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 42
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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