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PUBCHEM-ZINC05675895

 MMsINC code: MMs03344037
Type: Neutral
Formula: C16H9Cl4NO2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCc1onc(c1)-c1ccc(Cl)cc1
InChI:   InChI=1/C16H9Cl4NO2/c17-10-3-1-9(2-4-10)15-5-11(23-21-15)8-22-16-7-13(19)12(18)6-14(16)20/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=80.1095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.065 g/mol  logS: -7.33477  SlogP: 6.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553364  Sterimol/B1: 2.84341  Sterimol/B2: 3.70398  Sterimol/B3: 4.68778
  Sterimol/B4: 5.00429  Sterimol/L: 19.7203 
 
 Surface and Volume Properties
  Accessible surface: 593.367  Positive charged surface: 180.253  Negative charged surface: 413.115  Volume: 308.625
  Hydrophobic surface: 558.63  Hydrophilic surface: 34.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.