NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.45
Van der Waals volume 358.53
Polar Surface Area 75.35
Van der Waals Surface Area 626.59
Refractivity 107.47

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ELEMENTAL PROPERTIESExact Mass 326.293
Isotope Formula C19H38N2O2
Dot Disconnected Formula C19H38N2O2
Dot Disconnected Isotope Formula C19H38N2O2
Composition C (69.89%), H (11.73%), N (8.58%), O (9.8%)
Isotope Composition C (69.89%), H (11.73%), N (8.58%), O (9.8%)
Donor Sites 4
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 23
Aliphatic Bond Count 23
Aromatic Bond Count 0
Asymmetric Atom Count 2
Bond Count 61
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 2
Ring Atom Count 5
Ring Bond Count 5
Rotatable Bond Count 14
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 5
Smallest Ring System Size 1

 






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