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ALFAAESAR-ZINC02382135

 MMsINC code: MMs00022967
Type: Neutral
Formula: C6H3BrClFO
SMILES:   Brc1cc(F)c(O)c(Cl)c1
InChI:   InChI=1/C6H3BrClFO/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)=24.2831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.444 g/mol  logS: -3.14259  SlogP: 2.9472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136346  Sterimol/B1: 2.2253  Sterimol/B2: 2.336  Sterimol/B3: 2.80832
  Sterimol/B4: 5.78425  Sterimol/L: 9.93829 
 
 Surface and Volume Properties
  Accessible surface: 327.107  Positive charged surface: 89.0392  Negative charged surface: 238.068  Volume: 144.375
  Hydrophobic surface: 281.948  Hydrophilic surface: 45.159
 
 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.