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PUBCHEM-ZINC00896610

 MMsINC code: MMs02741768
Type: Neutral
Formula: C6H4Cl2O2
SMILES:   Clc1ccc(Cl)c(O)c1O
InChI:   InChI=1/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.002 g/mol  logS: -2.12956  SlogP: 2.4046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231738  Sterimol/B1: 2.09775  Sterimol/B2: 2.35355  Sterimol/B3: 4.47438
  Sterimol/B4: 5.85729  Sterimol/L: 7.75136 
 
 Surface and Volume Properties
  Accessible surface: 320.094  Positive charged surface: 121.745  Negative charged surface: 198.348  Volume: 134.875
  Hydrophobic surface: 232.851  Hydrophilic surface: 87.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.