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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.4
Van der Waals volume 433.56
Polar Surface Area 100.9
Van der Waals Surface Area 671.87
Refractivity 124.31

 Top
ELEMENTAL PROPERTIESExact Mass 456.251
Isotope Formula C27H36O6
Dot Disconnected Formula C27H36O6
Dot Disconnected Isotope Formula C27H36O6
Composition C (71.03%), H (7.95%), O (21.03%)
Isotope Composition C (71.03%), H (7.95%), O (21.03%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count69
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 73
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 11
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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