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PUBCHEM-ZINC05290027

 MMsINC code: MMs03233860
Type: Neutral
Formula: C11H17F4NO
SMILES:   FC(F)(C(=O)NC1CCCCCCC1)C(F)F
InChI:   InChI=1/C11H17F4NO/c12-9(13)11(14,15)10(17)16-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=99.3961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.255 g/mol  logS: -3.49614  SlogP: 3.9557  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143926  Sterimol/B1: 2.34465  Sterimol/B2: 3.45622  Sterimol/B3: 4.70681
  Sterimol/B4: 4.72131  Sterimol/L: 12.8457 
 
 Surface and Volume Properties
  Accessible surface: 428.509  Positive charged surface: 231.143  Negative charged surface: 197.366  Volume: 216.25
  Hydrophobic surface: 260.685  Hydrophilic surface: 167.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.