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PUBCHEM-ZINC05784889

 MMsINC code: MMs03385032
Type: Neutral
Formula: C12H4Cl4O2
SMILES:   Clc1c2Oc3c(Oc2c(Cl)cc1)c(Cl)ccc3Cl
InChI:   InChI=1/C12H4Cl4O2/c13-5-1-2-6(14)10-9(5)17-11-7(15)3-4-8(16)12(11)18-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.9426 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: 9.46875e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09857  Sterimol/B3: 4.47487
  Sterimol/B4: 5.85778  Sterimol/L: 11.9956 
 
 Surface and Volume Properties
  Accessible surface: 456.17  Positive charged surface: 138.588  Negative charged surface: 317.581  Volume: 238.5
  Hydrophobic surface: 456.17  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.