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ALFAAESAR-ZINC02382619

 MMsINC code: MMs00023018
Type: Neutral
Formula: C7H6Br2O
SMILES:   Brc1cc(cc(Br)c1)CO
InChI:   InChI=1/C7H6Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.9092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.932 g/mol  logS: -3.33668  SlogP: 2.9703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532684  Sterimol/B1: 2.22899  Sterimol/B2: 2.87877  Sterimol/B3: 3.80446
  Sterimol/B4: 6.19893  Sterimol/L: 9.68697 
 
 Surface and Volume Properties
  Accessible surface: 371.125  Positive charged surface: 124.187  Negative charged surface: 246.938  Volume: 171.125
  Hydrophobic surface: 307.962  Hydrophilic surface: 63.163
 
 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.