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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.17
Van der Waals volume 415.08
Polar Surface Area 74.97
Van der Waals Surface Area 656.73
Refractivity 121.9

 Top
ELEMENTAL PROPERTIESExact Mass 452.22
Isotope Formula C27H32O6
Dot Disconnected Formula C27H32O6
Dot Disconnected Isotope Formula C27H32O6
Composition C (71.66%), H (7.13%), O (21.21%)
Isotope Composition C (71.66%), H (7.13%), O (21.21%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 28
Aliphatic Bond Count 33
Aromatic Bond Count 5
Asymmetric Atom Count 9
Bond Count 70
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 9
Ring Atom Count 23
Ring Bond Count 27
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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