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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.43
Van der Waals volume 372.65
Polar Surface Area 130.36
Van der Waals Surface Area 593.75
Refractivity 97.72

 Top
ELEMENTAL PROPERTIESExact Mass 398.194
Isotope Formula C20H30O8
Dot Disconnected Formula C20H30O8
Dot Disconnected Isotope Formula C20H30O8
Composition C (60.29%), H (7.59%), O (32.12%)
Isotope Composition C (60.29%), H (7.59%), O (32.12%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 28
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 59
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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