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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.65
Van der Waals volume 383.19
Polar Surface Area 175.37
Van der Waals Surface Area 578.86
Refractivity 110.29

Top
ELEMENTAL PROPERTIESExact Mass 462.116
Isotope Formula C22H22O11
Dot Disconnected Formula C22H22O11
Dot Disconnected Isotope Formula C22H22O11
Composition C (57.14%), H (4.8%), O (38.06%)
Isotope Composition C (57.14%), H (4.8%), O (38.06%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 11


Top
TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 17
Aliphatic Bond Count 19
Aromatic Bond Count 17
Asymmetric Atom Count 5
Bond Count 58
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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