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APOLLO-ZINC00403515

 MMsINC code: MMs00048814
Type: Neutral
Formula: C7H5BrF2O
SMILES:   Brc1cc(F)c(CO)c(F)c1
InChI:   InChI=1/C7H5BrF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.17053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.016 g/mol  logS: -2.83625  SlogP: 2.486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516814  Sterimol/B1: 2.33827  Sterimol/B2: 2.66629  Sterimol/B3: 2.76964
  Sterimol/B4: 5.06255  Sterimol/L: 11.1749 
 
 Surface and Volume Properties
  Accessible surface: 337.741  Positive charged surface: 131.484  Negative charged surface: 206.257  Volume: 147.75
  Hydrophobic surface: 275.715  Hydrophilic surface: 62.026
 
 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.