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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.71
Van der Waals volume 456.17
Polar Surface Area 136.43
Van der Waals Surface Area 729.11
Refractivity 121.23

Top
ELEMENTAL PROPERTIESExact Mass 492.236
Isotope Formula C26H36O9
Dot Disconnected Formula C26H36O9
Dot Disconnected Isotope Formula C26H36O9
Composition C (63.4%), H (7.37%), O (29.23%)
Isotope Composition C (63.4%), H (7.37%), O (29.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 6


Top
TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 35
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 74
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 10
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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