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NCID-ZINC01652014

 MMsINC code: MMs02291298
Type: Neutral
Formula: C13H7Cl4NO2
SMILES:   Clc1c(OC(=O)Nc2ccccc2)c(Cl)cc(Cl)c1Cl
InChI:   InChI=1/C13H7Cl4NO2/c14-8-6-9(15)12(11(17)10(8)16)20-13(19)18-7-4-2-1-3-5-7/h1-6H,(H,18,19)

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Potential Energy
Epot(MMFF94)=62.5039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.016 g/mol  logS: -6.33328  SlogP: 5.9111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692978  Sterimol/B1: 2.61193  Sterimol/B2: 3.83375  Sterimol/B3: 4.9213
  Sterimol/B4: 5.57545  Sterimol/L: 15.3369 
 
 Surface and Volume Properties
  Accessible surface: 516.559  Positive charged surface: 165.989  Negative charged surface: 350.57  Volume: 268.625
  Hydrophobic surface: 474.396  Hydrophilic surface: 42.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.