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NCID-ZINC00391567

 MMsINC code: MMs02214766
Type: Neutral
Formula: C6H4Br2O2
SMILES:   Brc1cc(O)c(Br)cc1O
InChI:   InChI=1/C6H4Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.904 g/mol  logS: -2.84176  SlogP: 2.6228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268673  Sterimol/B1: 2.16643  Sterimol/B2: 2.19161  Sterimol/B3: 3.27897
  Sterimol/B4: 5.91817  Sterimol/L: 8.92455 
 
 Surface and Volume Properties
  Accessible surface: 348.156  Positive charged surface: 112.153  Negative charged surface: 236.003  Volume: 158.375
  Hydrophobic surface: 262.114  Hydrophilic surface: 86.042
 
 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.