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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.68
Van der Waals volume 363.7
Polar Surface Area 99.13
Van der Waals Surface Area 567.09
Refractivity 98.18

Top
ELEMENTAL PROPERTIESExact Mass 392.184
Isotope Formula C21H28O7
Dot Disconnected Formula C21H28O7
Dot Disconnected Isotope Formula C21H28O7
Composition C (64.27%), H (7.19%), O (28.54%)
Isotope Composition C (64.27%), H (7.19%), O (28.54%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 28
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 58
Chain Atom Count 15
Chain Bond Count 15
Chiral Center Count 7
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
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.