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PUBCHEM-ZINC02040702

 MMsINC code: MMs02862802
Type: Neutral
Formula: C6H13FO
SMILES:   FCCCCCOC
InChI:   InChI=1/C6H13FO/c1-8-6-4-2-3-5-7/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.92676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.167 g/mol  logS: -0.66218  SlogP: 1.7726  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0596768  Sterimol/B1: 2.37535  Sterimol/B2: 2.37574  Sterimol/B3: 2.491
  Sterimol/B4: 2.76283  Sterimol/L: 12.346 
 
 Surface and Volume Properties
  Accessible surface: 332.702  Positive charged surface: 270.872  Negative charged surface: 61.8297  Volume: 131.5
  Hydrophobic surface: 285.166  Hydrophilic surface: 47.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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.