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ACROSORGANICS-ZINC02528072

 MMsINC code: MMs00013953
Type: Neutral
Formula: C7H4Br4O
SMILES:   Brc1c(C)c(Br)c(Br)c(O)c1Br
InChI:   InChI=1/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.724 g/mol  logS: -5.54496  SlogP: 4.75062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304969  Sterimol/B1: 2.11877  Sterimol/B2: 2.49445  Sterimol/B3: 5.00482
  Sterimol/B4: 5.00653  Sterimol/L: 9.3778 
 
 Surface and Volume Properties
  Accessible surface: 407.261  Positive charged surface: 83.1615  Negative charged surface: 324.1  Volume: 218.875
  Hydrophobic surface: 373.286  Hydrophilic surface: 33.975
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.