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PUBCHEM-ZINC05413210

 MMsINC code: MMs03261187
Type: Neutral
Formula: C5H7FO2
SMILES:   FCC1OC(=O)CC1
InChI:   InChI=1/C5H7FO2/c6-3-4-1-2-5(7)8-4/h4H,1-3H2/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.1245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.107 g/mol  logS: -0.55493  SlogP: 0.6615  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.175411  Sterimol/B1: 2.25272  Sterimol/B2: 2.80634  Sterimol/B3: 2.96698
  Sterimol/B4: 4.70723  Sterimol/L: 8.33512 
 
 Surface and Volume Properties
  Accessible surface: 273.561  Positive charged surface: 169.12  Negative charged surface: 104.44  Volume: 103.125
  Hydrophobic surface: 164.207  Hydrophilic surface: 109.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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.