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ACROSORGANICS-ZINC00388114

 MMsINC code: MMs00006853
Type: Neutral
Formula: C12H8Br2O
SMILES:   Brc1ccc(Oc2ccc(Br)cc2)cc1
InChI:   InChI=1/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.003 g/mol  logS: -5.34837  SlogP: 5.0039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127415  Sterimol/B1: 3.44458  Sterimol/B2: 3.62498  Sterimol/B3: 3.64409
  Sterimol/B4: 4.5317  Sterimol/L: 14.6226 
 
 Surface and Volume Properties
  Accessible surface: 459.7  Positive charged surface: 152.602  Negative charged surface: 307.098  Volume: 232.875
  Hydrophobic surface: 459.7  Hydrophilic surface: 0
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.