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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.58
Van der Waals volume 320.68
Polar Surface Area 68.15
Van der Waals Surface Area 508.88
Refractivity 98.39

 Top
ELEMENTAL PROPERTIESExact Mass 354.147
Isotope Formula C21H22O5
Dot Disconnected Formula C21H22O5
Dot Disconnected Isotope Formula C21H22O5
Composition C (71.17%), H (6.26%), O (22.57%)
Isotope Composition C (71.17%), H (6.26%), O (22.57%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 51
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
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 5
Smallest Ring System Size 4

 






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