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CHEMDIV-ZINC06721876

 MMsINC code: MMs01001503
Type: Neutral
Formula: C7H6Br2O2
SMILES:   Brc1cc(Br)cc(CO)c1O
InChI:   InChI=1/C7H6Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.9589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.931 g/mol  logS: -2.97473  SlogP: 2.6759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315369  Sterimol/B1: 2.28782  Sterimol/B2: 2.50063  Sterimol/B3: 4.11335
  Sterimol/B4: 5.82023  Sterimol/L: 9.99241 
 
 Surface and Volume Properties
  Accessible surface: 375.176  Positive charged surface: 137.959  Negative charged surface: 237.217  Volume: 176.125
  Hydrophobic surface: 282.871  Hydrophilic surface: 92.305
 
 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.