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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.53
Van der Waals volume 349.76
Polar Surface Area 72.45
Van der Waals Surface Area 561.44
Refractivity 104.78

 Top
ELEMENTAL PROPERTIESExact Mass 398.137
Isotope Formula C22H22O7
Dot Disconnected Formula C22H22O7
Dot Disconnected Isotope Formula C22H22O7
Composition C (66.32%), H (5.57%), O (28.11%)
Isotope Composition C (66.32%), H (5.57%), O (28.11%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 17
Aliphatic Bond Count 20
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 54
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 2
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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