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PUBCHEM-ZINC02040767

 MMsINC code: MMs02862841
Type: Neutral
Formula: C12H23FO2
SMILES:   FCCCCCCCCCC(OCC)=O
InChI:   InChI=1/C12H23FO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.05715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.312 g/mol  logS: -3.19772  SlogP: 3.6398  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0190869  Sterimol/B1: 2.35336  Sterimol/B2: 2.37489  Sterimol/B3: 2.37583
  Sterimol/B4: 3.5442  Sterimol/L: 19.8563 
 
 Surface and Volume Properties
  Accessible surface: 517.192  Positive charged surface: 395.663  Negative charged surface: 121.529  Volume: 238.375
  Hydrophobic surface: 417.247  Hydrophilic surface: 99.945
 
 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.