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ACROSORGANICS-ZINC00156106

 MMsINC code: MMs00005365
Type: Ionized
Formula: C8H3FO4-2
SMILES:   Fc1cccc(C(=O)[O-])c1C(=O)[O-]
InChI:   InChI=1/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.106 g/mol  logS: -2.13956  SlogP: -1.4473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651982  Sterimol/B1: 2.722  Sterimol/B2: 3.01439  Sterimol/B3: 3.66035
  Sterimol/B4: 4.91449  Sterimol/L: 8.82173 
 
 Surface and Volume Properties
  Accessible surface: 322.104  Positive charged surface: 94.9287  Negative charged surface: 227.175  Volume: 140
  Hydrophobic surface: 162.845  Hydrophilic surface: 159.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:


MMs00005364
ACROSORGANICS-ZINC00156106