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PUBCHEM-ZINC06424796

 MMsINC code: MMs03724436
Type: Neutral
Formula: C6H15FNO+
SMILES:   FC[N+](CCO)(CC)C
InChI:   InChI=1/C6H15FNO/c1-3-8(2,6-7)4-5-9/h9H,3-6H2,1-2H3/q+1/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.1592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.19 g/mol  logS: 0.48809  SlogP: 0.3722  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.372566  Sterimol/B1: 2.48304  Sterimol/B2: 3.32  Sterimol/B3: 3.43536
  Sterimol/B4: 5.13485  Sterimol/L: 8.81494 
 
 Surface and Volume Properties
  Accessible surface: 310.5  Positive charged surface: 254.317  Negative charged surface: 56.1836  Volume: 140.75
  Hydrophobic surface: 187.287  Hydrophilic surface: 123.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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.