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PUBCHEM-ZINC03159382

 MMsINC code: MMs03003016
Type: Neutral
Formula: C9H10F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)N1CCCCC1
InChI:   InChI=1/C9H10F7NO/c10-7(11,8(12,13)9(14,15)16)6(18)17-4-2-1-3-5-17/h1-5H2

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Potential Energy
Epot(MMFF94)=47.7469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.171 g/mol  logS: -2.90094  SlogP: 4.0915  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0893987  Sterimol/B1: 2.90925  Sterimol/B2: 3.13257  Sterimol/B3: 3.43735
  Sterimol/B4: 4.36315  Sterimol/L: 12.5611 
 
 Surface and Volume Properties
  Accessible surface: 401.006  Positive charged surface: 178.941  Negative charged surface: 222.065  Volume: 193.875
  Hydrophobic surface: 196.649  Hydrophilic surface: 204.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.