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ALFAAESAR-ZINC02548105

 MMsINC code: MMs00023555
Type: Neutral
Formula: C6H3F2NO2
SMILES:   Fc1cc(F)cnc1C(O)=O
InChI:   InChI=1/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.091 g/mol  logS: -0.83902  SlogP: 1.058  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.51306e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09825  Sterimol/B3: 2.85536
  Sterimol/B4: 4.85865  Sterimol/L: 10.0573 
 
 Surface and Volume Properties
  Accessible surface: 292.421  Positive charged surface: 153.225  Negative charged surface: 139.196  Volume: 119
  Hydrophobic surface: 176.856  Hydrophilic surface: 115.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00023556
ALFAAESAR-ZINC02548105