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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.56
Van der Waals volume 313.62
Polar Surface Area 46.67
Van der Waals Surface Area 505.57
Refractivity 88.37

 Top
ELEMENTAL PROPERTIESExact Mass 316.204
Isotope Formula C20H28O3
Dot Disconnected Formula C20H28O3
Dot Disconnected Isotope Formula C20H28O3
Composition C (75.91%), H (8.92%), O (15.17%)
Isotope Composition C (75.91%), H (8.92%), O (15.17%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 23
Aliphatic Bond Count 26
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 54
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 5
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 10
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.