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NCID-ZINC01573947

 MMsINC code: MMs02233246
Type: Neutral
Formula: C11H16N2O3
SMILES:   O(C(=O)c1n(C)c(C)c(NC(=O)C)c1)CC
InChI:   InChI=1/C11H16N2O3/c1-5-16-11(15)10-6-9(12-8(3)14)7(2)13(10)4/h6H,5H2,1-4H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=27.1282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.26 g/mol  logS: -1.10681  SlogP: 1.82782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205672  Sterimol/B1: 2.49998  Sterimol/B2: 2.50819  Sterimol/B3: 3.7579
  Sterimol/B4: 5.16783  Sterimol/L: 14.896 
 
 Surface and Volume Properties
  Accessible surface: 462.35  Positive charged surface: 315.202  Negative charged surface: 147.148  Volume: 223.875
  Hydrophobic surface: 342.135  Hydrophilic surface: 120.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.