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PUBCHEM-ZINC06036357

 MMsINC code: MMs03506178
Type: Neutral
Formula: C12H23FO2
SMILES:   FCCCCCCCC(CCC(O)=O)C
InChI:   InChI=1/C12H23FO2/c1-11(8-9-12(14)15)7-5-3-2-4-6-10-13/h11H,2-10H2,1H3,(H,14,15)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=7.9048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.312 g/mol  logS: -3.48862  SlogP: 3.7974  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0326364  Sterimol/B1: 2.08659  Sterimol/B2: 2.55476  Sterimol/B3: 3.53046
  Sterimol/B4: 5.08539  Sterimol/L: 18.3609 
 
 Surface and Volume Properties
  Accessible surface: 497.262  Positive charged surface: 361.946  Negative charged surface: 135.316  Volume: 234.25
  Hydrophobic surface: 342.287  Hydrophilic surface: 154.975
 
 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


MMs03506179
PUBCHEM-ZINC06036357