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NCID-ZINC00039492

 MMsINC code: MMs02213172
Type: Neutral
Formula: C6H4Cl2O2
SMILES:   Clc1c(Cl)c(O)ccc1O
InChI:   InChI=1/C6H4Cl2O2/c7-5-3(9)1-2-4(10)6(5)8/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.77 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: 0.0186359  Sterimol/B1: 2.17824  Sterimol/B2: 2.3365  Sterimol/B3: 2.41989
  Sterimol/B4: 5.95035  Sterimol/L: 9.05326 
 
 Surface and Volume Properties
  Accessible surface: 315.928  Positive charged surface: 126.344  Negative charged surface: 189.584  Volume: 133
  Hydrophobic surface: 223.588  Hydrophilic surface: 92.34
 
 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.