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ENAMINE-ZINC02650610

 MMsINC code: MMs01275132
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cc(cnc1Cl)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C13H10Cl2N2O2/c1-19-10-4-2-3-9(6-10)17-13(18)8-5-11(14)12(15)16-7-8/h2-7H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=80.325 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: 0.0177646  Sterimol/B1: 2.30707  Sterimol/B2: 2.85241  Sterimol/B3: 3.00045
  Sterimol/B4: 6.01131  Sterimol/L: 16.115 
 
 Surface and Volume Properties
  Accessible surface: 495.492  Positive charged surface: 247.161  Negative charged surface: 248.331  Volume: 248.25
  Hydrophobic surface: 423.31  Hydrophilic surface: 72.182
 
 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.