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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.03
Van der Waals volume 237.19
Polar Surface Area 46.53
Van der Waals Surface Area 366.05
Refractivity 67.95

 Top
ELEMENTAL PROPERTIESExact Mass 248.141
Isotope Formula C15H20O3
Dot Disconnected Formula C15H20O3
Dot Disconnected Isotope Formula C15H20O3
Composition C (72.55%), H (8.12%), O (19.33%)
Isotope Composition C (72.55%), H (8.12%), O (19.33%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


Top
TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 18
Aliphatic Bond Count 20
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 40
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 5
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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