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PUBCHEM-ZINC02389909

 MMsINC code: MMs02886954
Type: Neutral
Formula: C5H11FO
SMILES:   FCCCCCO
InChI:   InChI=1/C5H11FO/c6-4-2-1-3-5-7/h7H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.13753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.14 g/mol  logS: -0.317  SlogP: 1.1185  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0855615  Sterimol/B1: 2.11645  Sterimol/B2: 2.37501  Sterimol/B3: 2.37599
  Sterimol/B4: 2.99913  Sterimol/L: 10.9395 
 
 Surface and Volume Properties
  Accessible surface: 294.662  Positive charged surface: 222.519  Negative charged surface: 72.1431  Volume: 113.75
  Hydrophobic surface: 203.732  Hydrophilic surface: 90.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.