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NCID-ZINC01759690

 MMsINC code: MMs02366624
Type: Neutral
Formula: C5H10F6N2+2
SMILES:   FC(F)(C(F)(F)C[NH3+])C(F)(F)C[NH3+]
InChI:   InChI=1/C5H8F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h1-2,12-13H2/p+2

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Potential Energy
Epot(MMFF94)=42.6148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.137 g/mol  logS: -1.0345  SlogP: 0.6358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734642  Sterimol/B1: 2.27917  Sterimol/B2: 2.58378  Sterimol/B3: 2.58412
  Sterimol/B4: 3.17961  Sterimol/L: 11.8525 
 
 Surface and Volume Properties
  Accessible surface: 351.578  Positive charged surface: 222.366  Negative charged surface: 129.212  Volume: 145.75
  Hydrophobic surface: 66.2948  Hydrophilic surface: 285.2832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs02366625
NCID-ZINC01759690