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ACROSORGANICS-ZINC00640403

 MMsINC code: MMs00008101
Type: Neutral
Formula: C6H2Br4O2
SMILES:   Brc1c(O)c(Br)c(Br)c(O)c1Br
InChI:   InChI=1/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.696 g/mol  logS: -5.02254  SlogP: 4.1478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182098  Sterimol/B1: 2.19389  Sterimol/B2: 2.49519  Sterimol/B3: 5.00589
  Sterimol/B4: 5.00688  Sterimol/L: 9.04959 
 
 Surface and Volume Properties
  Accessible surface: 403.233  Positive charged surface: 81.291  Negative charged surface: 321.942  Volume: 211.5
  Hydrophobic surface: 331.85  Hydrophilic surface: 71.383
 
 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.