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PUBCHEM-ZINC02569330

 MMsINC code: MMs02902474
Type: Neutral
Formula: C12H2Cl6O2
SMILES:   Clc1c(Cl)c(Cl)c2Oc3c(Oc2c1Cl)c(Cl)c(Cl)cc3
InChI:   InChI=1/C12H2Cl6O2/c13-3-1-2-4-10(5(3)14)20-12-9(18)7(16)6(15)8(17)11(12)19-4/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.4244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.864 g/mol  logS: -8.53402  SlogP: 7.505  Reactive groups: 0
 
 Topological Properties
  Globularity: 9.95903e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09919  Sterimol/B3: 3.64585
  Sterimol/B4: 6.68451  Sterimol/L: 14.3349 
 
 Surface and Volume Properties
  Accessible surface: 493.19  Positive charged surface: 113.499  Negative charged surface: 379.69  Volume: 266.75
  Hydrophobic surface: 493.19  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.