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CHEMDIV-ZINC00254871

 MMsINC code: MMs00846678
Type: Neutral
Formula: C6H4Br2O2
SMILES:   Brc1cc(O)c(O)cc1Br
InChI:   InChI=1/C6H4Br2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.904 g/mol  logS: -2.84176  SlogP: 2.6228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201321  Sterimol/B1: 2.20733  Sterimol/B2: 2.42937  Sterimol/B3: 2.56489
  Sterimol/B4: 5.33715  Sterimol/L: 9.13733 
 
 Surface and Volume Properties
  Accessible surface: 346.02  Positive charged surface: 116.738  Negative charged surface: 229.281  Volume: 158.125
  Hydrophobic surface: 247.736  Hydrophilic surface: 98.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.