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APOLLO-ZINC02545227

 MMsINC code: MMs00053109
Type: Neutral
Formula: C7H5BrF2O
SMILES:   Brc1cc(F)cc(F)c1OC
InChI:   InChI=1/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.0171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.016 g/mol  logS: -3.11561  SlogP: 2.7359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517988  Sterimol/B1: 2.11053  Sterimol/B2: 2.95054  Sterimol/B3: 3.80309
  Sterimol/B4: 5.06404  Sterimol/L: 10.2511 
 
 Surface and Volume Properties
  Accessible surface: 333.81  Positive charged surface: 144.167  Negative charged surface: 189.643  Volume: 150.875
  Hydrophobic surface: 324.521  Hydrophilic surface: 9.289
 
 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.