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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.36
Van der Waals volume 352.78
Polar Surface Area 60.44
Van der Waals Surface Area 564.54
Refractivity 100.58

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ELEMENTAL PROPERTIESExact Mass 358.214
Isotope Formula C22H30O4
Dot Disconnected Formula C22H30O4
Dot Disconnected Isotope Formula C22H30O4
Composition C (73.71%), H (8.44%), O (17.85%)
Isotope Composition C (73.71%), H (8.44%), O (17.85%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 58
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 4
Ring Atom Count 16
Ring Bond Count 18
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 10
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.