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PUBCHEM-ZINC00396780

 MMsINC code: MMs02673707
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cc(Cl)ccc1NC(Oc1cc(Cl)ccc1)=O
InChI:   InChI=1/C13H8Cl3NO2/c14-8-2-1-3-10(6-8)19-13(18)17-12-5-4-9(15)7-11(12)16/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=58.4697 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: 0.0795235  Sterimol/B1: 2.51909  Sterimol/B2: 3.99323  Sterimol/B3: 5.09724
  Sterimol/B4: 5.62379  Sterimol/L: 15.7373 
 
 Surface and Volume Properties
  Accessible surface: 515.257  Positive charged surface: 178.772  Negative charged surface: 336.485  Volume: 253.25
  Hydrophobic surface: 470.485  Hydrophilic surface: 44.772
 
 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.