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PUBCHEM-ZINC05290025

 MMsINC code: MMs03233859
Type: Neutral
Formula: C11H16F5NO
SMILES:   FC(F)(C(=O)NC1CCCCCCC1)C(F)(F)F
InChI:   InChI=1/C11H16F5NO/c12-10(13,11(14,15)16)9(18)17-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=104.866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.245 g/mol  logS: -4.05102  SlogP: 4.2529  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.148186  Sterimol/B1: 2.34519  Sterimol/B2: 3.44854  Sterimol/B3: 4.72218
  Sterimol/B4: 4.74297  Sterimol/L: 12.8418 
 
 Surface and Volume Properties
  Accessible surface: 433.354  Positive charged surface: 210.269  Negative charged surface: 223.085  Volume: 219.125
  Hydrophobic surface: 244.237  Hydrophilic surface: 189.117
 
 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.