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PUBCHEM-ZINC02868470

 MMsINC code: MMs02947542
Type: Neutral
Formula: C16H13Cl4NO3
SMILES:   Clc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc(Cl)c1O
InChI:   InChI=1/C16H13Cl4NO3/c17-9-3-4-14(11(18)6-9)24-5-1-2-15(22)21-10-7-12(19)16(23)13(20)8-10/h3-4,6-8,23H,1-2,5H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=77.3246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.096 g/mol  logS: -6.09059  SlogP: 5.8035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012232  Sterimol/B1: 2.53139  Sterimol/B2: 2.70811  Sterimol/B3: 3.45202
  Sterimol/B4: 6.29379  Sterimol/L: 20.5583 
 
 Surface and Volume Properties
  Accessible surface: 641.936  Positive charged surface: 261.453  Negative charged surface: 380.483  Volume: 326.625
  Hydrophobic surface: 558.721  Hydrophilic surface: 83.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.