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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.64
Van der Waals volume 411.72
Polar Surface Area 263.88
Van der Waals Surface Area 606.73
Refractivity 108.62

 Top
ELEMENTAL PROPERTIESExact Mass 528.075
Isotope Formula C21H20O16
Dot Disconnected Formula C21H20O16
Dot Disconnected Isotope Formula C21H20O16
Composition C (47.74%), H (3.82%), O (48.45%)
Isotope Composition C (47.74%), H (3.82%), O (48.45%)
Donor Sites 7
Donor Count 7
Acceptor Sites 18
Acceptor Count 13


Top
TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 31
Aliphatic Bond Count 34
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 60
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 8
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 12
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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