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APOLLO-ZINC01663405

 MMsINC code: MMs00049693
Type: Neutral
Formula: C5H13FNO+
SMILES:   FC[N+](CCO)(C)C
InChI:   InChI=1/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.5712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.163 g/mol  logS: 0.8153  SlogP: -0.0179  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.432508  Sterimol/B1: 2.68667  Sterimol/B2: 3.013  Sterimol/B3: 3.83074
  Sterimol/B4: 4.12595  Sterimol/L: 8.51272 
 
 Surface and Volume Properties
  Accessible surface: 290.048  Positive charged surface: 253.382  Negative charged surface: 36.6652  Volume: 123
  Hydrophobic surface: 172.314  Hydrophilic surface: 117.734
 
 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.