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ENAMINE-ZINC05111612

 MMsINC code: MMs01587592
Type: Neutral
Formula: C14H15F3N2O4
SMILES:   FC(F)(F)c1ccc(cc1)C(OCC(=O)NC(=O)NCCC)=O
InChI:   InChI=1/C14H15F3N2O4/c1-2-7-18-13(22)19-11(20)8-23-12(21)9-3-5-10(6-4-9)14(15,16)17/h3-6H,2,7-8H2,1H3,(H2,18,19,20,22)

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Potential Energy
Epot(MMFF94)=44.5632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.278 g/mol  logS: -3.75324  SlogP: 2.4095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00782074  Sterimol/B1: 2.37618  Sterimol/B2: 2.8137  Sterimol/B3: 3.19161
  Sterimol/B4: 5.10437  Sterimol/L: 20.685 
 
 Surface and Volume Properties
  Accessible surface: 575.879  Positive charged surface: 311.174  Negative charged surface: 264.704  Volume: 278.375
  Hydrophobic surface: 303.822  Hydrophilic surface: 272.057
 
 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.