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NCID-ZINC01702540

 MMsINC code: MMs02331845
Type: Neutral
Formula: C8H6Br4
SMILES:   BrC(Br)c1cc(ccc1)C(Br)Br
InChI:   InChI=1/C8H6Br4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.752 g/mol  logS: -5.46758  SlogP: 5.4544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613292  Sterimol/B1: 2.56441  Sterimol/B2: 2.9278  Sterimol/B3: 2.93095
  Sterimol/B4: 6.71118  Sterimol/L: 12.1884 
 
 Surface and Volume Properties
  Accessible surface: 431.569  Positive charged surface: 75.1169  Negative charged surface: 356.452  Volume: 229.625
  Hydrophobic surface: 131.951  Hydrophilic surface: 299.618
 
 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.