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NCID-ZINC01700668

 MMsINC code: MMs02330403
Type: Tautomer
Formula: C7H10F7N
SMILES:   FC(F)(C(CC)CN)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H10F7N/c1-2-4(3-15)5(8,9)6(10,11)7(12,13)14/h4H,2-3,15H2,1H3/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=48.7282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.15 g/mol  logS: -2.69033  SlogP: 4.0639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138324  Sterimol/B1: 2.80199  Sterimol/B2: 2.8132  Sterimol/B3: 3.42403
  Sterimol/B4: 4.74573  Sterimol/L: 10.8302 
 
 Surface and Volume Properties
  Accessible surface: 355.888  Positive charged surface: 155.975  Negative charged surface: 199.913  Volume: 165.375
  Hydrophobic surface: 109.78  Hydrophilic surface: 246.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs02330402
NCID-ZINC01700668