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PUBCHEM-ZINC03876149

 MMsINC code: MMs03083262
Type: Neutral
Formula: C18H35FO2
SMILES:   FCCCCCCCCCCCCCCCC(OCC)=O
InChI:   InChI=1/C18H35FO2/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2-17H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.03947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.474 g/mol  logS: -6.28904  SlogP: 5.9804  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00988545  Sterimol/B1: 2.37518  Sterimol/B2: 2.37611  Sterimol/B3: 2.42529
  Sterimol/B4: 3.48988  Sterimol/L: 27.3523 
 
 Surface and Volume Properties
  Accessible surface: 695.331  Positive charged surface: 556.216  Negative charged surface: 139.115  Volume: 343.125
  Hydrophobic surface: 594.838  Hydrophilic surface: 100.493
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.