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PUBCHEM-ZINC02040713

 MMsINC code: MMs02862808
Type: Neutral
Formula: C6H11FO2
SMILES:   FCCCCOC(=O)C
InChI:   InChI=1/C6H11FO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.17116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.15 g/mol  logS: -0.7333  SlogP: 1.2992  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0490984  Sterimol/B1: 2.11607  Sterimol/B2: 2.37512  Sterimol/B3: 2.37551
  Sterimol/B4: 3.73424  Sterimol/L: 12.3777 
 
 Surface and Volume Properties
  Accessible surface: 335  Positive charged surface: 227.073  Negative charged surface: 107.926  Volume: 130.5
  Hydrophobic surface: 251.527  Hydrophilic surface: 83.473
 
 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.