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PUBCHEM-ZINC06253328

 MMsINC code: MMs03640315
Type: Neutral
Formula: C10H12F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)N1CCCCC1C
InChI:   InChI=1/C10H12F7NO/c1-6-4-2-3-5-18(6)7(19)8(11,12)9(13,14)10(15,16)17/h6H,2-5H2,1H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.198 g/mol  logS: -3.22815  SlogP: 4.48  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0972639  Sterimol/B1: 2.09105  Sterimol/B2: 2.99757  Sterimol/B3: 3.13668
  Sterimol/B4: 6.79022  Sterimol/L: 12.3769 
 
 Surface and Volume Properties
  Accessible surface: 417.74  Positive charged surface: 195.865  Negative charged surface: 221.875  Volume: 209.375
  Hydrophobic surface: 208.603  Hydrophilic surface: 209.137
 
 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.