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PUBCHEM-ZINC02569946

 MMsINC code: MMs02902556
Type: Neutral
Formula: C12H2Cl6O2
SMILES:   Clc1cc(Cl)c2Oc3c(Oc2c1Cl)c(Cl)cc(Cl)c3Cl
InChI:   InChI=1/C12H2Cl6O2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H

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Potential Energy
Epot(MMFF94)=59.6469 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: 2.00778e-07  Sterimol/B1: 2.09771  Sterimol/B2: 2.09812  Sterimol/B3: 4.43041
  Sterimol/B4: 6.06782  Sterimol/L: 14.3563 
 
 Surface and Volume Properties
  Accessible surface: 498.742  Positive charged surface: 104.77  Negative charged surface: 393.972  Volume: 267.25
  Hydrophobic surface: 498.742  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.