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CHEMBRIDGE-ZINC00142984

 MMsINC code: MMs00591224
Type: Neutral
Formula: C15H15ClN2O2
SMILES:   Clc1ccc(NC(=O)Nc2ccccc2OCC)cc1
InChI:   InChI=1/C15H15ClN2O2/c1-2-20-14-6-4-3-5-13(14)18-15(19)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=66.5613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.75 g/mol  logS: -4.36393  SlogP: 4.3827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042466  Sterimol/B1: 1.98684  Sterimol/B2: 3.09103  Sterimol/B3: 3.62411
  Sterimol/B4: 8.24075  Sterimol/L: 16.7325 
 
 Surface and Volume Properties
  Accessible surface: 538.615  Positive charged surface: 302.437  Negative charged surface: 236.178  Volume: 270.125
  Hydrophobic surface: 456.684  Hydrophilic surface: 81.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.