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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.2
Van der Waals volume 372.06
Polar Surface Area 66.9
Van der Waals Surface Area 624.62
Refractivity 104.53

 Top
ELEMENTAL PROPERTIESExact Mass 374.246
Isotope Formula C23H34O4
Dot Disconnected Formula C23H34O4
Dot Disconnected Isotope Formula C23H34O4
Composition C (73.76%), H (9.15%), O (17.09%)
Isotope Composition C (73.76%), H (9.15%), O (17.09%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 27
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 64
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 6
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 12
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.