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PUBCHEM-ZINC02507998

 MMsINC code: MMs02890678
Type: Neutral
Formula: C10H5Br3O
SMILES:   Brc1c2c(cc(Br)c1O)cc(Br)cc2
InChI:   InChI=1/C10H5Br3O/c11-6-1-2-7-5(3-6)4-8(12)10(14)9(7)13/h1-4,14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.861 g/mol  logS: -6.17198  SlogP: 4.8329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00574027  Sterimol/B1: 2.26301  Sterimol/B2: 2.32943  Sterimol/B3: 4.24754
  Sterimol/B4: 5.34064  Sterimol/L: 12.3287 
 
 Surface and Volume Properties
  Accessible surface: 430.767  Positive charged surface: 94.4461  Negative charged surface: 325.249  Volume: 227.25
  Hydrophobic surface: 396.43  Hydrophilic surface: 34.337
 
 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.