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ACROSORGANICS-ZINC00156106

 MMsINC code: MMs00005364
Type: Neutral
Formula: C8H5FO4
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)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.122 g/mol  logS: -1.61866  SlogP: 1.2221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480735  Sterimol/B1: 2.58804  Sterimol/B2: 3.14489  Sterimol/B3: 3.85725
  Sterimol/B4: 4.9347  Sterimol/L: 8.91731 
 
 Surface and Volume Properties
  Accessible surface: 333.535  Positive charged surface: 160.877  Negative charged surface: 172.658  Volume: 144.625
  Hydrophobic surface: 164.978  Hydrophilic surface: 168.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00005365
ACROSORGANICS-ZINC00156106