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PUBCHEM-ZINC03876151

 MMsINC code: MMs03083265
Type: Neutral
Formula: C18H37FO
SMILES:   FCCCCCCCCCCCCCCCCCCO
InChI:   InChI=1/C18H37FO/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h20H,1-18H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.94441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.491 g/mol  logS: -6.70141  SlogP: 6.1898  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0105532  Sterimol/B1: 2.19509  Sterimol/B2: 2.37504  Sterimol/B3: 2.37599
  Sterimol/B4: 3.06949  Sterimol/L: 27.1776 
 
 Surface and Volume Properties
  Accessible surface: 686.763  Positive charged surface: 566.277  Negative charged surface: 120.486  Volume: 344.125
  Hydrophobic surface: 595.003  Hydrophilic surface: 91.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.