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PUBCHEM-ZINC06068100

 MMsINC code: MMs03521052
Type: Neutral
Formula: C7H15FNO2+
SMILES:   FCC(OCC[N+](C)(C)C)=O
InChI:   InChI=1/C7H15FNO2/c1-9(2,3)4-5-11-7(10)6-8/h4-6H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.7327 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: 0.170574  Sterimol/B1: 2.15278  Sterimol/B2: 3.22211  Sterimol/B3: 4.04137
  Sterimol/B4: 4.73629  Sterimol/L: 11.3258 
 
 Surface and Volume Properties
  Accessible surface: 357.404  Positive charged surface: 292.754  Negative charged surface: 64.6501  Volume: 164.375
  Hydrophobic surface: 210.741  Hydrophilic surface: 146.663
 
 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.