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PUBCHEM-ZINC03159276

 MMsINC code: MMs03002983
Type: Neutral
Formula: C10H14F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)NCCCCCC
InChI:   InChI=1/C10H14F7NO/c1-2-3-4-5-6-18-7(19)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=37.5451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.214 g/mol  logS: -4.32742  SlogP: 4.7755  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0308454  Sterimol/B1: 2.59885  Sterimol/B2: 2.98065  Sterimol/B3: 3.24438
  Sterimol/B4: 3.87603  Sterimol/L: 17.2978 
 
 Surface and Volume Properties
  Accessible surface: 482.931  Positive charged surface: 229.2  Negative charged surface: 253.731  Volume: 223.625
  Hydrophobic surface: 223.617  Hydrophilic surface: 259.314
 
 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.