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ACROSORGANICS-ZINC01687157

 MMsINC code: MMs00010949
Type: Neutral
Formula: C6HBr5O
SMILES:   Brc1c(O)c(Br)c(Br)c(Br)c1Br
InChI:   InChI=1/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.593 g/mol  logS: -6.47488  SlogP: 5.2047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126275  Sterimol/B1: 2.18123  Sterimol/B2: 2.43961  Sterimol/B3: 5.00476
  Sterimol/B4: 5.00686  Sterimol/L: 9.95356 
 
 Surface and Volume Properties
  Accessible surface: 417.782  Positive charged surface: 54.7097  Negative charged surface: 363.072  Volume: 227.625
  Hydrophobic surface: 382.091  Hydrophilic surface: 35.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.