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PUBCHEM-ZINC03625877

 MMsINC code: MMs03025811
Type: Neutral
Formula: C6H10F3NO
SMILES:   FC(F)(F)C1OCC(N1)CC
InChI:   InChI=1/C6H10F3NO/c1-2-4-3-11-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=53.6083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.146 g/mol  logS: -1.14166  SlogP: 1.6931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175057  Sterimol/B1: 2.55342  Sterimol/B2: 2.95586  Sterimol/B3: 2.97742
  Sterimol/B4: 5.05586  Sterimol/L: 10.0847 
 
 Surface and Volume Properties
  Accessible surface: 329.582  Positive charged surface: 186.635  Negative charged surface: 142.946  Volume: 139.375
  Hydrophobic surface: 170.762  Hydrophilic surface: 158.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.