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PUBCHEM-ZINC04654983

 MMsINC code: MMs03147461
Type: Ionized
Formula: C16H30FO2-
SMILES:   FCCCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.67205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.412 g/mol  logS: -5.80995  SlogP: 4.1672  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0132642  Sterimol/B1: 2.37266  Sterimol/B2: 2.37862  Sterimol/B3: 2.92433
  Sterimol/B4: 3.05002  Sterimol/L: 24.4096 
 
 Surface and Volume Properties
  Accessible surface: 627.079  Positive charged surface: 473.931  Negative charged surface: 153.148  Volume: 302.125
  Hydrophobic surface: 495.667  Hydrophilic surface: 131.412
 
 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: 1
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Parent related molecule:


MMs03147460
PUBCHEM-ZINC04654983