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PUBCHEM-ZINC05188871

 MMsINC code: MMs03221890
Type: Neutral
Formula: C12H11Cl5O
SMILES:   Clc1c(OC2CCCCC2)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C12H11Cl5O/c13-7-8(14)10(16)12(11(17)9(7)15)18-6-4-2-1-3-5-6/h6H,1-5H2

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Potential Energy
Epot(MMFF94)=62.2479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.484 g/mol  logS: -6.57785  SlogP: 6.6651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824436  Sterimol/B1: 2.94069  Sterimol/B2: 3.60522  Sterimol/B3: 4.4509
  Sterimol/B4: 5.33564  Sterimol/L: 13.6395 
 
 Surface and Volume Properties
  Accessible surface: 484.393  Positive charged surface: 188.539  Negative charged surface: 295.854  Volume: 267.875
  Hydrophobic surface: 479.38  Hydrophilic surface: 5.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.