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PUBCHEM-ZINC01847498

 MMsINC code: MMs02824573
Type: Neutral
Formula: C6H11FO
SMILES:   FC(=O)CCCCC
InChI:   InChI=1/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.6187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.151 g/mol  logS: -2.05633  SlogP: 2.3283  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0746237  Sterimol/B1: 2.37539  Sterimol/B2: 2.3755  Sterimol/B3: 2.46551
  Sterimol/B4: 3.38324  Sterimol/L: 11.2818 
 
 Surface and Volume Properties
  Accessible surface: 312.193  Positive charged surface: 204.226  Negative charged surface: 107.968  Volume: 123.125
  Hydrophobic surface: 198.736  Hydrophilic surface: 113.457
 
 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.