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PUBCHEM-ZINC06519679

 MMsINC code: MMs03778347
Type: Neutral
Formula: C7H17FNO+
SMILES:   FCCC[N+](CCO)(C)C
InChI:   InChI=1/C7H17FNO/c1-9(2,6-7-10)5-3-4-8/h10H,3-7H2,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.6866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.217 g/mol  logS: 0.31903  SlogP: 0.4147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.190477  Sterimol/B1: 1.99911  Sterimol/B2: 3.08913  Sterimol/B3: 3.70279
  Sterimol/B4: 4.68752  Sterimol/L: 11.167 
 
 Surface and Volume Properties
  Accessible surface: 343.757  Positive charged surface: 294.526  Negative charged surface: 49.2302  Volume: 157.625
  Hydrophobic surface: 227.562  Hydrophilic surface: 116.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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: no related molecules available.