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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.51
Van der Waals volume 360.56
Polar Surface Area 74.88
Van der Waals Surface Area 562.43
Refractivity 109.48

 Top
ELEMENTAL PROPERTIESExact Mass 410.184
Isotope Formula C23H26N2O5
Dot Disconnected Formula C23H26N2O5
Dot Disconnected Isotope Formula C23H26N2O5
Composition C (67.3%), H (6.38%), N (6.82%), O (19.49%)
Isotope Composition C (67.3%), H (6.38%), N (6.82%), O (19.49%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 24
Aliphatic Bond Count 30
Aromatic Bond Count 6
Asymmetric Atom Count 7
Bond Count 62
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 7
Ring Atom Count 24
Ring Bond Count 30
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 7

 






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