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PUBCHEM-ZINC05784476

 MMsINC code: MMs03384826
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1c2Oc3c(Oc2ccc1Cl)c(Cl)ccc3Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-3-4-8-12(9(5)16)18-11-7(15)2-1-6(14)10(11)17-8/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.3533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.974 g/mol  logS: -7.06544  SlogP: 6.1982  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.22578e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.099  Sterimol/B3: 3.63827
  Sterimol/B4: 6.69127  Sterimol/L: 13.2021 
 
 Surface and Volume Properties
  Accessible surface: 457.822  Positive charged surface: 137.73  Negative charged surface: 320.092  Volume: 238.375
  Hydrophobic surface: 457.822  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.