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APOLLO-ZINC00166841

 MMsINC code: MMs00048193
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1ncc(Cl)cc1C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C13H10Cl2N2O2/c1-19-10-4-2-9(3-5-10)17-13(18)11-6-8(14)7-16-12(11)15/h2-7H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=82.2994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.92695  SlogP: 3.6493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183428  Sterimol/B1: 2.71748  Sterimol/B2: 3.26528  Sterimol/B3: 4.33538
  Sterimol/B4: 4.85839  Sterimol/L: 16.1728 
 
 Surface and Volume Properties
  Accessible surface: 495.637  Positive charged surface: 252.08  Negative charged surface: 243.557  Volume: 251.125
  Hydrophobic surface: 433.61  Hydrophilic surface: 62.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.