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PUBCHEM-ZINC00404074

 MMsINC code: MMs02676601
Type: Neutral
Formula: C6H4Cl2O2
SMILES:   Clc1cc(Cl)cc(O)c1O
InChI:   InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8187 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: 0.0316309  Sterimol/B1: 2.097  Sterimol/B2: 2.42205  Sterimol/B3: 2.53992
  Sterimol/B4: 6.45471  Sterimol/L: 9.36915 
 
 Surface and Volume Properties
  Accessible surface: 322.349  Positive charged surface: 119.906  Negative charged surface: 202.442  Volume: 135.625
  Hydrophobic surface: 228.56  Hydrophilic surface: 93.789
 
 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.