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PUBCHEM-ZINC03161303

 MMsINC code: MMs03003463
Type: Neutral
Formula: C9H14F5NO
SMILES:   FC(F)(C(=O)NCCCCCC)C(F)(F)F
InChI:   InChI=1/C9H14F5NO/c1-2-3-4-5-6-15-7(16)8(10,11)9(12,13)14/h2-6H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=34.4484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.207 g/mol  logS: -3.62408  SlogP: 3.7203  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0347535  Sterimol/B1: 2.86324  Sterimol/B2: 3.02931  Sterimol/B3: 3.10611
  Sterimol/B4: 3.56641  Sterimol/L: 16.0976 
 
 Surface and Volume Properties
  Accessible surface: 451.159  Positive charged surface: 234.285  Negative charged surface: 216.875  Volume: 198.625
  Hydrophobic surface: 227.18  Hydrophilic surface: 223.979
 
 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.