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APOLLO-ZINC02577664

 MMsINC code: MMs00055207
Type: Neutral
Formula: C11H5Cl3F6N2O
SMILES:   ClC(NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=C(Cl)Cl
InChI:   InChI=1/C11H5Cl3F6N2O/c12-7(13)8(14)22-9(23)21-6-2-4(10(15,16)17)1-5(3-6)11(18,19)20/h1-3H,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=75.7837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.521 g/mol  logS: -6.58597  SlogP: 6.5295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347912  Sterimol/B1: 2.87175  Sterimol/B2: 3.20321  Sterimol/B3: 4.50546
  Sterimol/B4: 4.94932  Sterimol/L: 15.2306 
 
 Surface and Volume Properties
  Accessible surface: 526.272  Positive charged surface: 98.5965  Negative charged surface: 427.675  Volume: 262.625
  Hydrophobic surface: 251.674  Hydrophilic surface: 274.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.