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OAKWOOD-ZINC02541324

 MMsINC code: MMs02545596
Type: Neutral
Formula: C7H6BrFO
SMILES:   Brc1ccc(F)cc1OC
InChI:   InChI=1/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.2371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.026 g/mol  logS: -2.82063  SlogP: 2.5968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228198  Sterimol/B1: 2.37412  Sterimol/B2: 2.37598  Sterimol/B3: 4.25088
  Sterimol/B4: 5.35448  Sterimol/L: 9.84342 
 
 Surface and Volume Properties
  Accessible surface: 333.972  Positive charged surface: 156.824  Negative charged surface: 177.148  Volume: 147.5
  Hydrophobic surface: 331.09  Hydrophilic surface: 2.882
 
 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.