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APOLLO-ZINC02584288

 MMsINC code: MMs00055609
Type: Neutral
Formula: C7H5Br2FO
SMILES:   Brc1cc(F)cc(Br)c1OC
InChI:   InChI=1/C7H5Br2FO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.922 g/mol  logS: -3.91102  SlogP: 3.3593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526026  Sterimol/B1: 2.09657  Sterimol/B2: 2.99806  Sterimol/B3: 5.00471
  Sterimol/B4: 5.00705  Sterimol/L: 10.2542 
 
 Surface and Volume Properties
  Accessible surface: 358.599  Positive charged surface: 124.741  Negative charged surface: 233.858  Volume: 172.75
  Hydrophobic surface: 351.366  Hydrophilic surface: 7.233
 
 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.