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NCID-ZINC01700674

 MMsINC code: MMs02330412
Type: Neutral
Formula: C7H11F7N+
SMILES:   FC(F)(C(F)(F)C(F)(F)F)CC([NH3+])CC
InChI:   InChI=1/C7H10F7N/c1-2-4(15)3-5(8,9)6(10,11)7(12,13)14/h4H,2-3,15H2,1H3/p+1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=18.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.158 g/mol  logS: -2.47793  SlogP: 3.4896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0944478  Sterimol/B1: 2.74813  Sterimol/B2: 3.19672  Sterimol/B3: 3.47889
  Sterimol/B4: 3.50432  Sterimol/L: 12.5524 
 
 Surface and Volume Properties
  Accessible surface: 373.218  Positive charged surface: 169.227  Negative charged surface: 203.991  Volume: 168.375
  Hydrophobic surface: 126.051  Hydrophilic surface: 247.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs02330413
NCID-ZINC01700674