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PUBCHEM-ZINC06116035

 MMsINC code: MMs03544920
Type: Neutral
Formula: C12H8Cl2O
SMILES:   Clc1ccc(Cl)cc1Oc1ccccc1
InChI:   InChI=1/C12H8Cl2O/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.1683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.101 g/mol  logS: -4.63617  SlogP: 4.7857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110569  Sterimol/B1: 3.20141  Sterimol/B2: 3.42569  Sterimol/B3: 4.6049
  Sterimol/B4: 5.34849  Sterimol/L: 12.0754 
 
 Surface and Volume Properties
  Accessible surface: 425.548  Positive charged surface: 166.749  Negative charged surface: 258.799  Volume: 211
  Hydrophobic surface: 425.548  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.