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PUBCHEM-ZINC06249989

 MMsINC code: MMs03638280
Type: Neutral
Formula: C10H12F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)N1CC(CCC1)C
InChI:   InChI=1/C10H12F7NO/c1-6-3-2-4-18(5-6)7(19)8(11,12)9(13,14)10(15,16)17/h6H,2-5H2,1H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=52.2625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.198 g/mol  logS: -3.10271  SlogP: 4.3375  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0761622  Sterimol/B1: 2.5372  Sterimol/B2: 2.80169  Sterimol/B3: 3.19219
  Sterimol/B4: 5.56315  Sterimol/L: 13.4462 
 
 Surface and Volume Properties
  Accessible surface: 425.565  Positive charged surface: 195.548  Negative charged surface: 230.017  Volume: 211.25
  Hydrophobic surface: 200.233  Hydrophilic surface: 225.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.