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CHEMBRIDGE-ZINC00241940

 MMsINC code: MMs00597733
Type: Neutral
Formula: C15H15ClN2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OCC)cc2)ccc1
InChI:   InChI=1/C15H15ClN2O2/c1-2-20-14-8-6-12(7-9-14)17-15(19)18-13-5-3-4-11(16)10-13/h3-10H,2H2,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=61.3108 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: 0.0237068  Sterimol/B1: 3.08762  Sterimol/B2: 3.31378  Sterimol/B3: 4.42498
  Sterimol/B4: 4.80335  Sterimol/L: 17.8725 
 
 Surface and Volume Properties
  Accessible surface: 541.144  Positive charged surface: 304.396  Negative charged surface: 236.748  Volume: 270.25
  Hydrophobic surface: 451.249  Hydrophilic surface: 89.895
 
 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.