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PUBCHEM-ZINC01847468

 MMsINC code: MMs02824569
Type: Neutral
Formula: C16H23FO
SMILES:   FCCCCCCCCCC(=O)c1ccccc1
InChI:   InChI=1/C16H23FO/c17-14-10-5-3-1-2-4-9-13-16(18)15-11-7-6-8-12-15/h6-8,11-12H,1-5,9-10,13-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.0963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.357 g/mol  logS: -4.56159  SlogP: 4.9596  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0136938  Sterimol/B1: 2.37426  Sterimol/B2: 2.37699  Sterimol/B3: 3.40971
  Sterimol/B4: 4.53275  Sterimol/L: 20.2659 
 
 Surface and Volume Properties
  Accessible surface: 555.896  Positive charged surface: 379.862  Negative charged surface: 176.034  Volume: 273.875
  Hydrophobic surface: 485.214  Hydrophilic surface: 70.682
 
 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.