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PUBCHEM-ZINC01999059

 MMsINC code: MMs02841548
Type: Neutral
Formula: C12H23FO2
SMILES:   FC(CCCCCCCC(OCC)=O)C
InChI:   InChI=1/C12H23FO2/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h11H,3-10H2,1-2H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.13396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.312 g/mol  logS: -3.00971  SlogP: 4.0581  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0198189  Sterimol/B1: 2.39668  Sterimol/B2: 2.47925  Sterimol/B3: 2.63216
  Sterimol/B4: 3.54436  Sterimol/L: 19.5958 
 
 Surface and Volume Properties
  Accessible surface: 514.802  Positive charged surface: 385.247  Negative charged surface: 129.555  Volume: 237.625
  Hydrophobic surface: 397.096  Hydrophilic surface: 117.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.