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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.62
Van der Waals volume 306.02
Polar Surface Area 65.13
Van der Waals Surface Area 491.2
Refractivity 88.09

 Top
ELEMENTAL PROPERTIESExact Mass 332.162
Isotope Formula C19H24O5
Dot Disconnected Formula C19H24O5
Dot Disconnected Isotope Formula C19H24O5
Composition C (68.66%), H (7.28%), O (24.07%)
Isotope Composition C (68.66%), H (7.28%), O (24.07%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 24
Aliphatic Bond Count 27
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 51
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 6
Ring Atom Count 14
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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