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PUBCHEM-ZINC01998826

 MMsINC code: MMs02841318
Type: Neutral
Formula: C7H15FNO2+
SMILES:   FCCOC(=O)C[N+](C)(C)C
InChI:   InChI=1/C7H15FNO2/c1-9(2,3)6-7(10)11-5-4-8/h4-6H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.2 g/mol  logS: -0.08991  SlogP: 0.2053  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128693  Sterimol/B1: 2.32778  Sterimol/B2: 2.35041  Sterimol/B3: 3.82526
  Sterimol/B4: 4.77759  Sterimol/L: 11.9726 
 
 Surface and Volume Properties
  Accessible surface: 369.792  Positive charged surface: 318.708  Negative charged surface: 51.0834  Volume: 163.625
  Hydrophobic surface: 254.593  Hydrophilic surface: 115.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.