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PUBCHEM-ZINC03876150

 MMsINC code: MMs03083263
Type: Neutral
Formula: C18H35FO2
SMILES:   FCCCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=-3.11176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.474 g/mol  logS: -6.57994  SlogP: 6.2821  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0104029  Sterimol/B1: 2.2051  Sterimol/B2: 2.37503  Sterimol/B3: 2.37592
  Sterimol/B4: 3.71853  Sterimol/L: 27.1413 
 
 Surface and Volume Properties
  Accessible surface: 685.799  Positive charged surface: 537.669  Negative charged surface: 148.13  Volume: 338.75
  Hydrophobic surface: 550.074  Hydrophilic surface: 135.725
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03083264
PUBCHEM-ZINC03876150