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APOLLO-ZINC04277367

 MMsINC code: MMs00057675
Type: Neutral
Formula: C8H4Br2O
SMILES:   Brc1cc2c(occ2Br)cc1
InChI:   InChI=1/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.6148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.927 g/mol  logS: -5.01099  SlogP: 3.9578  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.49101e-07  Sterimol/B1: 2.16615  Sterimol/B2: 2.16802  Sterimol/B3: 3.41073
  Sterimol/B4: 5.05944  Sterimol/L: 10.5791 
 
 Surface and Volume Properties
  Accessible surface: 367.904  Positive charged surface: 89.7152  Negative charged surface: 272.653  Volume: 175
  Hydrophobic surface: 355.002  Hydrophilic surface: 12.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.