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KEYORGANICS-ZINC01383413

 MMsINC code: MMs02094679
Type: Neutral
Formula: C12H6F6N2O2
SMILES:   FC(F)(F)C=1NC(=O)N(C(=O)C=1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C12H6F6N2O2/c13-11(14,15)6-2-1-3-7(4-6)20-9(21)5-8(12(16,17)18)19-10(20)22/h1-5H,(H,19,22)

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Potential Energy
Epot(MMFF94)=73.9807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.18 g/mol  logS: -4.56926  SlogP: 3.9392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996113  Sterimol/B1: 2.4878  Sterimol/B2: 3.9347  Sterimol/B3: 3.99595
  Sterimol/B4: 5.83027  Sterimol/L: 13.6734 
 
 Surface and Volume Properties
  Accessible surface: 459.413  Positive charged surface: 131.095  Negative charged surface: 328.318  Volume: 224.625
  Hydrophobic surface: 155.086  Hydrophilic surface: 304.327
 
 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.