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PUBCHEM-ZINC02745668

 MMsINC code: MMs02915418
Type: Neutral
Formula: C13H12F5NO3
SMILES:   Fc1cc(F)ccc1NC(=O)CCCC(OCC(F)(F)F)=O
InChI:   InChI=1/C13H12F5NO3/c14-8-4-5-10(9(15)6-8)19-11(20)2-1-3-12(21)22-7-13(16,17)18/h4-6H,1-3,7H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=55.6906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.233 g/mol  logS: -3.6337  SlogP: 3.599  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0157366  Sterimol/B1: 2.5507  Sterimol/B2: 2.59904  Sterimol/B3: 2.95222
  Sterimol/B4: 5.55912  Sterimol/L: 18.5785 
 
 Surface and Volume Properties
  Accessible surface: 535.566  Positive charged surface: 255.189  Negative charged surface: 280.377  Volume: 251.625
  Hydrophobic surface: 345.278  Hydrophilic surface: 190.288
 
 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.