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PUBCHEM-ZINC06519681

 MMsINC code: MMs03778350
Type: Neutral
Formula: C6H15FNO+
SMILES:   FCC[N+](CCO)(C)C
InChI:   InChI=1/C6H15FNO/c1-8(2,4-3-7)5-6-9/h9H,3-6H2,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.19 g/mol  logS: 0.5208  SlogP: 0.0246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.279459  Sterimol/B1: 1.969  Sterimol/B2: 3.1897  Sterimol/B3: 3.46349
  Sterimol/B4: 4.64496  Sterimol/L: 9.98165 
 
 Surface and Volume Properties
  Accessible surface: 313.866  Positive charged surface: 267.715  Negative charged surface: 46.1511  Volume: 140.75
  Hydrophobic surface: 196.545  Hydrophilic surface: 117.321
 
 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.