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PUBCHEM-ZINC05784345

 MMsINC code: MMs03384744
Type: Neutral
Formula: C12H6Cl4O
SMILES:   Clc1c(Oc2ccc(Cl)cc2Cl)cccc1Cl
InChI:   InChI=1/C12H6Cl4O/c13-7-4-5-10(9(15)6-7)17-11-3-1-2-8(14)12(11)16/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.991 g/mol  logS: -6.10475  SlogP: 6.0925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157494  Sterimol/B1: 2.40139  Sterimol/B2: 4.27438  Sterimol/B3: 4.44896
  Sterimol/B4: 5.87596  Sterimol/L: 12.9675 
 
 Surface and Volume Properties
  Accessible surface: 466.854  Positive charged surface: 131.282  Negative charged surface: 335.572  Volume: 239
  Hydrophobic surface: 466.854  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.