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CHEMBRIDGE-ZINC04566400

 MMsINC code: MMs00771849
Type: Neutral
Formula: C16H16Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1NC(=O)Nc1ccc(OCCC)cc1
InChI:   InChI=1/C16H16Cl2N2O2/c1-2-9-22-13-6-4-12(5-7-13)19-16(21)20-15-8-3-11(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H2,19,20,21)

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Potential Energy
Epot(MMFF94)=65.0022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.222 g/mol  logS: -5.29999  SlogP: 5.4262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.022808  Sterimol/B1: 2.55716  Sterimol/B2: 3.75011  Sterimol/B3: 4.11903
  Sterimol/B4: 4.69657  Sterimol/L: 20.0957 
 
 Surface and Volume Properties
  Accessible surface: 591.59  Positive charged surface: 306.719  Negative charged surface: 284.871  Volume: 301.875
  Hydrophobic surface: 511.541  Hydrophilic surface: 80.049
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.