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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.01
Van der Waals volume 273.39
Polar Surface Area 96.22
Van der Waals Surface Area 427.49
Refractivity 82.74

 Top
ELEMENTAL PROPERTIESExact Mass 316.095
Isotope Formula C17H16O6
Dot Disconnected Formula C17H16O6
Dot Disconnected Isotope Formula C17H16O6
Composition C (64.55%), H (5.1%), O (30.35%)
Isotope Composition C (64.55%), H (5.1%), O (30.35%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 11
Aliphatic Bond Count 13
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 41
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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