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PUBCHEM-ZINC01846649

 MMsINC code: MMs02824238
Type: Neutral
Formula: C11H21FO
SMILES:   FCCCCCCCCCC(=O)C
InChI:   InChI=1/C11H21FO/c1-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.22388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.286 g/mol  logS: -2.80105  SlogP: 3.6657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0264194  Sterimol/B1: 2.37585  Sterimol/B2: 2.44504  Sterimol/B3: 2.51204
  Sterimol/B4: 3.58556  Sterimol/L: 17.4188 
 
 Surface and Volume Properties
  Accessible surface: 473.267  Positive charged surface: 353.754  Negative charged surface: 119.513  Volume: 210.375
  Hydrophobic surface: 397.839  Hydrophilic surface: 75.428
 
 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.