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PUBCHEM-ZINC05416708

 MMsINC code: MMs03262296
Type: Neutral
Formula: C10H12F7NO
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)N1CCC(CC1)C
InChI:   InChI=1/C10H12F7NO/c1-6-2-4-18(5-3-6)7(19)8(11,12)9(13,14)10(15,16)17/h6H,2-5H2,1H3

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Potential Energy
Epot(MMFF94)=52.2423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.198 g/mol  logS: -3.41616  SlogP: 4.3375  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0813091  Sterimol/B1: 2.55501  Sterimol/B2: 3.04523  Sterimol/B3: 3.8038
  Sterimol/B4: 4.67804  Sterimol/L: 13.7903 
 
 Surface and Volume Properties
  Accessible surface: 427.334  Positive charged surface: 196.916  Negative charged surface: 230.417  Volume: 212.375
  Hydrophobic surface: 199.937  Hydrophilic surface: 227.397
 
 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.