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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.54
Van der Waals volume 548.23
Polar Surface Area 107.22
Van der Waals Surface Area 904.45
Refractivity 146.41

 Top
ELEMENTAL PROPERTIESExact Mass 534.392
Isotope Formula C32H54O6
Dot Disconnected Formula C32H54O6
Dot Disconnected Isotope Formula C32H54O6
Composition C (71.87%), H (10.18%), O (17.95%)
Isotope Composition C (71.87%), H (10.18%), O (17.95%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count92
Aliphatic Atom Count 38
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 96
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 12
Ring Atom Count 18
Ring Bond Count 22
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 3
Smallest Ring System Size 5

 






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