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ASINEX-ZINC00213093

 MMsINC code: MMs00093419
Type: Neutral
Formula: C12H11F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(C(OC)=O)C)cc1
InChI:   InChI=1/C12H11F6NO3/c1-19(9(20)22-2)8-5-3-7(4-6-8)10(21,11(13,14)15)12(16,17)18/h3-6,21H,1-2H3

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Potential Energy
Epot(MMFF94)=94.0333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.212 g/mol  logS: -3.4948  SlogP: 4.3527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102638  Sterimol/B1: 2.07013  Sterimol/B2: 3.06177  Sterimol/B3: 4.08512
  Sterimol/B4: 5.67544  Sterimol/L: 14.7005 
 
 Surface and Volume Properties
  Accessible surface: 481.428  Positive charged surface: 248.736  Negative charged surface: 232.692  Volume: 241.125
  Hydrophobic surface: 252.895  Hydrophilic surface: 228.533
 
 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.