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PUBCHEM-ZINC00334786

 MMsINC code: MMs02657472
Type: Neutral
Formula: C9H14N2O2
SMILES:   o1cccc1CNC(=O)NC(C)C
InChI:   InChI=1/C9H14N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-16.4704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -1.77822  SlogP: 1.7536  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0690798  Sterimol/B1: 2.37613  Sterimol/B2: 3.17282  Sterimol/B3: 3.5108
  Sterimol/B4: 4.80242  Sterimol/L: 13.6512 
 
 Surface and Volume Properties
  Accessible surface: 417.707  Positive charged surface: 263.448  Negative charged surface: 154.259  Volume: 184.75
  Hydrophobic surface: 292.142  Hydrophilic surface: 125.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.