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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.31
Van der Waals volume 284.36
Polar Surface Area 33.2
Van der Waals Surface Area 487.47
Refractivity 81.56

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ELEMENTAL PROPERTIESExact Mass 274.204
Isotope Formula C17H26N2O
Dot Disconnected Formula C17H26N2O
Dot Disconnected Isotope Formula C17H26N2O
Composition C (74.41%), H (9.55%), N (10.21%), O (5.83%)
Isotope Composition C (74.41%), H (9.55%), N (10.21%), O (5.83%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count46
Aliphatic Atom Count 14
Aliphatic Bond Count 15
Aromatic Bond Count 6
Asymmetric Atom Count 1
Bond Count 47
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 1
Ring Atom Count 11
Ring Bond Count 11
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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