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PUBCHEM-ZINC06411892

 MMsINC code: MMs03715072
Type: Neutral
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-/m0/s1

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Potential Energy
Epot(MMFF94)=44.3952 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: 0.162698  Sterimol/B1: 2.45708  Sterimol/B2: 2.83764  Sterimol/B3: 3.51774
  Sterimol/B4: 6.14546  Sterimol/L: 10.2483 
 
 Surface and Volume Properties
  Accessible surface: 362.498  Positive charged surface: 160.876  Negative charged surface: 201.621  Volume: 165
  Hydrophobic surface: 110.804  Hydrophilic surface: 251.694
 
 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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Ions/Tautomers related molecules


MMs03715073
PUBCHEM-ZINC06411892