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PUBCHEM-ZINC06123788

 MMsINC code: MMs03549341
Type: Neutral
Formula: C17H15Cl3N2O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)N\N=C\c1ccc(cc1)CC
InChI:   InChI=1/C17H15Cl3N2O2/c1-2-11-3-5-12(6-4-11)9-21-22-17(23)10-24-16-8-14(19)13(18)7-15(16)20/h3-9H,2,10H2,1H3,(H,22,23)/b21-9+

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Potential Energy
Epot(MMFF94)=96.1859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.678 g/mol  logS: -6.80698  SlogP: 4.73827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00924823  Sterimol/B1: 2.06508  Sterimol/B2: 3.47526  Sterimol/B3: 4.49861
  Sterimol/B4: 5.45104  Sterimol/L: 21.9294 
 
 Surface and Volume Properties
  Accessible surface: 656.97  Positive charged surface: 304.022  Negative charged surface: 352.948  Volume: 331
  Hydrophobic surface: 544.664  Hydrophilic surface: 112.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.