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PUBCHEM-ZINC00587350

 MMsINC code: MMs02711030
Type: Neutral
Formula: C8H7Cl3N2O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)NN
InChI:   InChI=1/C8H7Cl3N2O2/c9-4-1-6(11)7(2-5(4)10)15-3-8(14)13-12/h1-2H,3,12H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=75.8555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.515 g/mol  logS: -3.89662  SlogP: 2.0155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00925423  Sterimol/B1: 2.33034  Sterimol/B2: 2.41926  Sterimol/B3: 4.1131
  Sterimol/B4: 6.03693  Sterimol/L: 14.385 
 
 Surface and Volume Properties
  Accessible surface: 439.622  Positive charged surface: 173.598  Negative charged surface: 266.024  Volume: 203.25
  Hydrophobic surface: 297.26  Hydrophilic surface: 142.362
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.