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MDPI-ZINC03094888

 MMsINC code: MMs02176378
Type: Neutral
Formula: C11H15F6NO
SMILES:   FC(F)(F)C(C(=O)N(C)C1CCCCC1)C(F)(F)F
InChI:   InChI=1/C11H15F6NO/c1-18(7-5-3-2-4-6-7)9(19)8(10(12,13)14)11(15,16)17/h7-8H,2-6H2,1H3

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Potential Energy
Epot(MMFF94)=-6.27254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.235 g/mol  logS: -3.05072  SlogP: 4.3581  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143194  Sterimol/B1: 2.21604  Sterimol/B2: 3.10459  Sterimol/B3: 4.63925
  Sterimol/B4: 5.00246  Sterimol/L: 12.857 
 
 Surface and Volume Properties
  Accessible surface: 433.626  Positive charged surface: 220.354  Negative charged surface: 213.273  Volume: 225
  Hydrophobic surface: 246.461  Hydrophilic surface: 187.165
 
 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.