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PUBCHEM-ZINC05973104

 MMsINC code: MMs03468610
Type: Ionized
Formula: C10H18FO2-
SMILES:   FC(CCCCCC)CCC(=O)[O-]
InChI:   InChI=1/C10H19FO2/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)/p-1/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.77591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.25 g/mol  logS: -2.84407  SlogP: 2.2449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322955  Sterimol/B1: 2.39878  Sterimol/B2: 2.44136  Sterimol/B3: 2.68102
  Sterimol/B4: 3.62926  Sterimol/L: 16.619 
 
 Surface and Volume Properties
  Accessible surface: 442.466  Positive charged surface: 302.303  Negative charged surface: 140.163  Volume: 196.5
  Hydrophobic surface: 297.424  Hydrophilic surface: 145.042
 
 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: 1
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Parent related molecule:


MMs03468609
PUBCHEM-ZINC05973104