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ACROSORGANICS-ZINC02512506

 MMsINC code: MMs00013823
Type: Neutral
Formula: C7H5BrF2O
SMILES:   Brc1c(F)cc(OC)cc1F
InChI:   InChI=1/C7H5BrF2O/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1393 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: 0.0207674  Sterimol/B1: 2.37489  Sterimol/B2: 2.37521  Sterimol/B3: 3.94392
  Sterimol/B4: 4.16229  Sterimol/L: 11.3165 
 
 Surface and Volume Properties
  Accessible surface: 338.238  Positive charged surface: 148.773  Negative charged surface: 189.465  Volume: 150.375
  Hydrophobic surface: 327.456  Hydrophilic surface: 10.782
 
 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.