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PUBCHEM-ZINC02002089

 MMsINC code: MMs02844055
Type: Neutral
Formula: C12H7Cl3O
SMILES:   Clc1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChI:   InChI=1/C12H7Cl3O/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.546 g/mol  logS: -5.37046  SlogP: 5.4391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102456  Sterimol/B1: 2.27633  Sterimol/B2: 3.63142  Sterimol/B3: 4.29314
  Sterimol/B4: 5.06552  Sterimol/L: 14.1084 
 
 Surface and Volume Properties
  Accessible surface: 452.667  Positive charged surface: 145.942  Negative charged surface: 306.724  Volume: 223
  Hydrophobic surface: 452.667  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.