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PUBCHEM-ZINC06090872

 MMsINC code: MMs03536829
Type: Neutral
Formula: C6H2Cl4O2
SMILES:   Clc1c(O)c(Cl)c(Cl)c(Cl)c1O
InChI:   InChI=1/C6H2Cl4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.2117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.892 g/mol  logS: -3.59814  SlogP: 3.7114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222636  Sterimol/B1: 2.2018  Sterimol/B2: 2.45025  Sterimol/B3: 4.47584
  Sterimol/B4: 5.85773  Sterimol/L: 9.46163 
 
 Surface and Volume Properties
  Accessible surface: 357.576  Positive charged surface: 92.7463  Negative charged surface: 264.83  Volume: 164.875
  Hydrophobic surface: 275.688  Hydrophilic surface: 81.888
 
 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.