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ACROSORGANICS-ZINC06661034

 MMsINC code: MMs00018872
Type: Neutral
Formula: C8H5FN2O2
SMILES:   Fc1c2nc([nH]c2ccc1)C(O)=O
InChI:   InChI=1/C8H5FN2O2/c9-4-2-1-3-5-6(4)11-7(10-5)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)=28.3788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.138 g/mol  logS: -1.90078  SlogP: 1.4002  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.50392e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09814  Sterimol/B3: 3.32143
  Sterimol/B4: 4.87367  Sterimol/L: 11.4014 
 
 Surface and Volume Properties
  Accessible surface: 342.487  Positive charged surface: 173.552  Negative charged surface: 168.936  Volume: 143.75
  Hydrophobic surface: 194.225  Hydrophilic surface: 148.262
 
 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


MMs00018873
ACROSORGANICS-ZINC06661034