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PUBCHEM-ZINC05998610

 MMsINC code: MMs03482633
Type: Neutral
Formula: C8H8Cl2O3
SMILES:   Clc1cc(Cl)c(OC)c(O)c1OC
InChI:   InChI=1/C8H8Cl2O3/c1-12-7-4(9)3-5(10)8(13-2)6(7)11/h3,11H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.6573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.055 g/mol  logS: -2.59227  SlogP: 2.7162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585424  Sterimol/B1: 2.85545  Sterimol/B2: 2.86159  Sterimol/B3: 3.02419
  Sterimol/B4: 5.61751  Sterimol/L: 11.0422 
 
 Surface and Volume Properties
  Accessible surface: 382.87  Positive charged surface: 216.465  Negative charged surface: 166.406  Volume: 181.625
  Hydrophobic surface: 328.523  Hydrophilic surface: 54.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.