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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.09
Van der Waals volume 664.29
Polar Surface Area 122.52
Van der Waals Surface Area 1134.89
Refractivity 176.21

 Top
ELEMENTAL PROPERTIESExact Mass 638.476
Isotope Formula C37H66O8
Dot Disconnected Formula C37H66O8
Dot Disconnected Isotope Formula C37H66O8
Composition C (69.55%), H (10.41%), O (20.03%)
Isotope Composition C (69.55%), H (10.41%), O (20.03%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 7


Top
TOPOLOGICAL PROPERTIESAtom Count111
Aliphatic Atom Count 45
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 113
Chain Atom Count 30
Chain Bond Count 32
Chiral Center Count 9
Ring Atom Count 15
Ring Bond Count 15
Rotatable Bond Count 25
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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