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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.75
Van der Waals volume 342.59
Polar Surface Area 102.29
Van der Waals Surface Area 552.48
Refractivity 90.96

 Top
ELEMENTAL PROPERTIESExact Mass 368.184
Isotope Formula C19H28O7
Dot Disconnected Formula C19H28O7
Dot Disconnected Isotope Formula C19H28O7
Composition C (61.94%), H (7.66%), O (30.4%)
Isotope Composition C (61.94%), H (7.66%), O (30.4%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 56
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 7
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 3
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 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 9
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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