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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.88
Van der Waals volume 501.17
Polar Surface Area 123.99
Van der Waals Surface Area 826.23
Refractivity 142.07

 Top
ELEMENTAL PROPERTIESExact Mass 545.263
Isotope Formula C29H39NO9
Dot Disconnected Formula C29H39NO9
Dot Disconnected Isotope Formula C29H39NO9
Composition C (63.84%), H (7.2%), N (2.57%), O (26.39%)
Isotope Composition C (63.84%), H (7.2%), N (2.57%), O (26.39%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count78
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 82
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 5
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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