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ENAMINE-ZINC02657424

 MMsINC code: MMs01279922
Type: Neutral
Formula: C15H17F3N2O4
SMILES:   FC(F)(F)c1ccc(cc1)C(OCC(=O)NC(=O)NC(C)(C)C)=O
InChI:   InChI=1/C15H17F3N2O4/c1-14(2,3)20-13(23)19-11(21)8-24-12(22)9-4-6-10(7-5-9)15(16,17)18/h4-7H,8H2,1-3H3,(H2,19,20,21,23)

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Potential Energy
Epot(MMFF94)=64.5554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.305 g/mol  logS: -4.20589  SlogP: 2.798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218666  Sterimol/B1: 2.37505  Sterimol/B2: 2.90776  Sterimol/B3: 4.87419
  Sterimol/B4: 5.52841  Sterimol/L: 19.4029 
 
 Surface and Volume Properties
  Accessible surface: 583.556  Positive charged surface: 301.867  Negative charged surface: 281.689  Volume: 292.875
  Hydrophobic surface: 303.85  Hydrophilic surface: 279.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.