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PUBCHEM-ZINC03876150

 MMsINC code: MMs03083264
Type: Ionized
Formula: C18H34FO2-
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)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.29881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.466 g/mol  logS: -6.84039  SlogP: 4.9474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0106587  Sterimol/B1: 2.18455  Sterimol/B2: 2.3741  Sterimol/B3: 2.37719
  Sterimol/B4: 3.79419  Sterimol/L: 26.9377 
 
 Surface and Volume Properties
  Accessible surface: 698.3  Positive charged surface: 532.567  Negative charged surface: 165.734  Volume: 336.25
  Hydrophobic surface: 564.213  Hydrophilic surface: 134.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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: 0
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Parent related molecule:


MMs03083263
PUBCHEM-ZINC03876150