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PUBCHEM-ZINC01847566

 MMsINC code: MMs02824592
Type: Neutral
Formula: C13H25FO2
SMILES:   FCCCCCCCCCCC(OCC)=O
InChI:   InChI=1/C13H25FO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.09636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.339 g/mol  logS: -3.71294  SlogP: 4.0299  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0168766  Sterimol/B1: 2.37517  Sterimol/B2: 2.37617  Sterimol/B3: 2.43775
  Sterimol/B4: 3.48034  Sterimol/L: 21.1174 
 
 Surface and Volume Properties
  Accessible surface: 546.805  Positive charged surface: 423.304  Negative charged surface: 123.501  Volume: 255
  Hydrophobic surface: 445.494  Hydrophilic surface: 101.311
 
 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.