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ASINEX-ZINC00792646

 MMsINC code: MMs00165410
Type: Neutral
Formula: C15H17F6NO3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(C(OCC(C)C)=O)C)cc1
InChI:   InChI=1/C15H17F6NO3/c1-9(2)8-25-12(23)22(3)11-6-4-10(5-7-11)13(24,14(16,17)18)15(19,20)21/h4-7,9,24H,8H2,1-3H3

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Potential Energy
Epot(MMFF94)=96.636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.293 g/mol  logS: -4.22555  SlogP: 5.3789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604126  Sterimol/B1: 2.83385  Sterimol/B2: 3.8066  Sterimol/B3: 4.40192
  Sterimol/B4: 4.71054  Sterimol/L: 17.2845 
 
 Surface and Volume Properties
  Accessible surface: 565.954  Positive charged surface: 295.42  Negative charged surface: 270.534  Volume: 295.25
  Hydrophobic surface: 299.013  Hydrophilic surface: 266.941
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.