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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.33
Van der Waals volume 321.34
Polar Surface Area 63.22
Van der Waals Surface Area 497.2
Refractivity 102.8

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ELEMENTAL PROPERTIESExact Mass 378.11
Isotope Formula C22H18O6
Dot Disconnected Formula C22H18O6
Dot Disconnected Isotope Formula C22H18O6
Composition C (69.83%), H (4.79%), O (25.37%)
Isotope Composition C (69.83%), H (4.79%), O (25.37%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 12
Aliphatic Bond Count 15
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 50
Chain Atom Count 5
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 2

 






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