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ALFAAESAR-ZINC02584289

 MMsINC code: MMs00024152
Type: Neutral
Formula: C6H3Br2FO
SMILES:   Brc1cc(Br)cc(F)c1O
InChI:   InChI=1/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.4907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.895 g/mol  logS: -3.49869  SlogP: 3.0563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01358  Sterimol/B1: 2.29655  Sterimol/B2: 2.33636  Sterimol/B3: 2.8752
  Sterimol/B4: 5.94408  Sterimol/L: 9.92017 
 
 Surface and Volume Properties
  Accessible surface: 341.276  Positive charged surface: 84.0974  Negative charged surface: 257.178  Volume: 155.75
  Hydrophobic surface: 298.524  Hydrophilic surface: 42.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.