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PUBCHEM-ZINC05955985

 MMsINC code: MMs03459417
Type: Neutral
Formula: C11H15ClN2O2
SMILES:   ClC=1N(CC=C)C(=O)N(CC)C(=O)C=1CC
InChI:   InChI=1/C11H15ClN2O2/c1-4-7-14-9(12)8(5-2)10(15)13(6-3)11(14)16/h4H,1,5-7H2,2-3H3

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Potential Energy
Epot(MMFF94)=-7.59682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.706 g/mol  logS: -2.67672  SlogP: 2.4258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180879  Sterimol/B1: 2.46998  Sterimol/B2: 2.5649  Sterimol/B3: 3.75201
  Sterimol/B4: 7.60975  Sterimol/L: 11.2445 
 
 Surface and Volume Properties
  Accessible surface: 439.289  Positive charged surface: 265.793  Negative charged surface: 173.496  Volume: 227.5
  Hydrophobic surface: 285.834  Hydrophilic surface: 153.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.