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NCID-ZINC01741791

 MMsINC code: MMs02359579
Type: Neutral
Formula: C10H9Cl4NO3
SMILES:   Clc1cc(NC(OCC(Cl)(Cl)Cl)=O)c(OC)cc1
InChI:   InChI=1/C10H9Cl4NO3/c1-17-8-3-2-6(11)4-7(8)15-9(16)18-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=48.8079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.998 g/mol  logS: -4.85622  SlogP: 4.6872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029309  Sterimol/B1: 2.56641  Sterimol/B2: 2.75658  Sterimol/B3: 3.97862
  Sterimol/B4: 8.55082  Sterimol/L: 14.3169 
 
 Surface and Volume Properties
  Accessible surface: 524.03  Positive charged surface: 207.675  Negative charged surface: 316.355  Volume: 250.125
  Hydrophobic surface: 287.765  Hydrophilic surface: 236.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.