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ALFAAESAR-ZINC00409178

 MMsINC code: MMs00021056
Type: Neutral
Formula: C6H3Br2FO
SMILES:   Brc1cc(F)cc(Br)c1O
InChI:   InChI=1/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5631 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: 0.0145577  Sterimol/B1: 2.14429  Sterimol/B2: 2.3214  Sterimol/B3: 3.80557
  Sterimol/B4: 6.20571  Sterimol/L: 8.74182 
 
 Surface and Volume Properties
  Accessible surface: 340.48  Positive charged surface: 85.183  Negative charged surface: 255.297  Volume: 154.5
  Hydrophobic surface: 305.323  Hydrophilic surface: 35.157
 
 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.