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NCID-ZINC01641888

 MMsINC code: MMs02283912
Type: Neutral
Formula: C12H23FO2
SMILES:   FCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C12H23FO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=-3.08356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.312 g/mol  logS: -3.48862  SlogP: 3.9415  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0210537  Sterimol/B1: 2.37493  Sterimol/B2: 2.37577  Sterimol/B3: 2.79088
  Sterimol/B4: 3.12032  Sterimol/L: 19.6452 
 
 Surface and Volume Properties
  Accessible surface: 507.668  Positive charged surface: 380.526  Negative charged surface: 127.143  Volume: 236.875
  Hydrophobic surface: 371.115  Hydrophilic surface: 136.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02283913
NCID-ZINC01641888