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PUBCHEM-ZINC05784402

 MMsINC code: MMs03384784
Type: Neutral
Formula: C12H6Cl4O
SMILES:   Clc1cccc(Cl)c1Oc1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C12H6Cl4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6997 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: 0.165176  Sterimol/B1: 4.37667  Sterimol/B2: 4.72528  Sterimol/B3: 4.74404
  Sterimol/B4: 4.75668  Sterimol/L: 12.9912 
 
 Surface and Volume Properties
  Accessible surface: 462.488  Positive charged surface: 130.126  Negative charged surface: 332.362  Volume: 237
  Hydrophobic surface: 462.488  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.