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PUBCHEM-ZINC03156737

 MMsINC code: MMs03002608
Type: Neutral
Formula: C11H16F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)NC(CCCCC)C
InChI:   InChI=1/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.2503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.241 g/mol  logS: -4.65463  SlogP: 5.164  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0565313  Sterimol/B1: 2.89128  Sterimol/B2: 2.98073  Sterimol/B3: 3.37671
  Sterimol/B4: 6.86523  Sterimol/L: 15.5274 
 
 Surface and Volume Properties
  Accessible surface: 501.076  Positive charged surface: 238.314  Negative charged surface: 262.762  Volume: 239.5
  Hydrophobic surface: 237.657  Hydrophilic surface: 263.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.