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PUBCHEM-ZINC00384272

MMsINC code: MMs02668909

Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1ccc(OC)nc1
InChI:   InChI=1/C13H10Cl2N2O2/c1-19-12-5-3-9(7-16-12)17-13(18)10-4-2-8(14)6-11(10)15/h2-7H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=74.0408 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: 0.0153028  Sterimol/B1: 2.5638  Sterimol/B2: 2.94845  Sterimol/B3: 3.42944
  Sterimol/B4: 5.26263  Sterimol/L: 17.5531 
 
 Surface and Volume Properties
  Accessible surface: 495.595  Positive charged surface: 264.735  Negative charged surface: 230.86  Volume: 251
  Hydrophobic surface: 441.173  Hydrophilic surface: 54.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.