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ALFAAESAR-ZINC02511839

 MMsINC code: MMs00023313
Type: Neutral
Formula: C8H5Br2FO
SMILES:   BrC(Br)C(=O)c1ccc(F)cc1
InChI:   InChI=1/C8H5Br2FO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.933 g/mol  logS: -4.05256  SlogP: 3.5442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400464  Sterimol/B1: 2.31171  Sterimol/B2: 2.87487  Sterimol/B3: 3.83282
  Sterimol/B4: 4.8597  Sterimol/L: 11.9014 
 
 Surface and Volume Properties
  Accessible surface: 373.152  Positive charged surface: 100.325  Negative charged surface: 272.827  Volume: 184.875
  Hydrophobic surface: 187.881  Hydrophilic surface: 185.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.