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PUBCHEM-ZINC00396762

 MMsINC code: MMs02673696
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1ccc(Cl)cc1NC(Oc1ccccc1Cl)=O
InChI:   InChI=1/C13H8Cl3NO2/c14-8-5-6-9(15)11(7-8)17-13(18)19-12-4-2-1-3-10(12)16/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=64.0079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.571 g/mol  logS: -5.59899  SlogP: 5.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074334  Sterimol/B1: 2.91342  Sterimol/B2: 4.46246  Sterimol/B3: 4.51132
  Sterimol/B4: 5.73194  Sterimol/L: 14.2362 
 
 Surface and Volume Properties
  Accessible surface: 499.926  Positive charged surface: 174.465  Negative charged surface: 325.46  Volume: 253.375
  Hydrophobic surface: 462.584  Hydrophilic surface: 37.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.