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PUBCHEM-ZINC05113121

 MMsINC code: MMs03201475
Type: Neutral
Formula: C11H23FO2
SMILES:   FCCCCCCCCCC(O)CO
InChI:   InChI=1/C11H23FO2/c12-9-7-5-3-1-2-4-6-8-11(14)10-13/h11,13-14H,1-10H2/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.4255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.301 g/mol  logS: -2.37711  SlogP: 2.4299  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0302674  Sterimol/B1: 2.43031  Sterimol/B2: 2.79267  Sterimol/B3: 2.89462
  Sterimol/B4: 3.63605  Sterimol/L: 18.4153 
 
 Surface and Volume Properties
  Accessible surface: 486.034  Positive charged surface: 381.846  Negative charged surface: 104.189  Volume: 220
  Hydrophobic surface: 355.195  Hydrophilic surface: 130.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.