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PUBCHEM-ZINC06020556

 MMsINC code: MMs03495645
Type: Ionized
Formula: C18H34FO2-
SMILES:   FCCCCCCCCCCCCCCC(CC(=O)[O-])C
InChI:   InChI=1/C18H35FO2/c1-17(16-18(20)21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19/h17H,2-16H2,1H3,(H,20,21)/p-1/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=7.27005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.466 g/mol  logS: -6.84039  SlogP: 4.8033  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0142315  Sterimol/B1: 2.2382  Sterimol/B2: 2.54713  Sterimol/B3: 4.06266
  Sterimol/B4: 4.6227  Sterimol/L: 25.654 
 
 Surface and Volume Properties
  Accessible surface: 681.153  Positive charged surface: 512.16  Negative charged surface: 168.992  Volume: 341.25
  Hydrophobic surface: 536.827  Hydrophilic surface: 144.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03495644
PUBCHEM-ZINC06020556