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PUBCHEM-ZINC02040623

 MMsINC code: MMs02862774
Type: Neutral
Formula: C8H19FN+
SMILES:   FCC[N+](CC)(CC)CC
InChI:   InChI=1/C8H19FN/c1-4-10(5-2,6-3)8-7-9/h4-8H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.9545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.245 g/mol  logS: -0.66337  SlogP: 1.8324  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.340233  Sterimol/B1: 2.97807  Sterimol/B2: 2.9797  Sterimol/B3: 4.81698
  Sterimol/B4: 4.8304  Sterimol/L: 9.91294 
 
 Surface and Volume Properties
  Accessible surface: 333.761  Positive charged surface: 236.399  Negative charged surface: 97.3614  Volume: 167.625
  Hydrophobic surface: 215.646  Hydrophilic surface: 118.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.