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PUBCHEM-ZINC05308006

 MMsINC code: MMs03236142
Type: Neutral
Formula: C15H25F3N2O3
SMILES:   FC(F)(F)C(NC1CCCCC1)(NC(=O)CCC)C(OCC)=O
InChI:   InChI=1/C15H25F3N2O3/c1-3-8-12(21)20-14(15(16,17)18,13(22)23-4-2)19-11-9-6-5-7-10-11/h11,19H,3-10H2,1-2H3,(H,20,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=81.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.37 g/mol  logS: -3.59987  SlogP: 3.0666  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.266827  Sterimol/B1: 3.01398  Sterimol/B2: 3.53994  Sterimol/B3: 5.75071
  Sterimol/B4: 8.14649  Sterimol/L: 14.0249 
 
 Surface and Volume Properties
  Accessible surface: 565.465  Positive charged surface: 376.848  Negative charged surface: 188.617  Volume: 305.25
  Hydrophobic surface: 394.966  Hydrophilic surface: 170.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.