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PUBCHEM-ZINC00393352

 MMsINC code: MMs02672539
Type: Neutral
Formula: C10H12Br2O2
SMILES:   Brc1cc(COC)c(Br)cc1COC
InChI:   InChI=1/C10H12Br2O2/c1-13-5-7-3-10(12)8(6-14-2)4-9(7)11/h3-4H,5-6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.012 g/mol  logS: -3.79806  SlogP: 4.0372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201656  Sterimol/B1: 2.37673  Sterimol/B2: 2.37692  Sterimol/B3: 4.92157
  Sterimol/B4: 5.6624  Sterimol/L: 13.971 
 
 Surface and Volume Properties
  Accessible surface: 470.891  Positive charged surface: 265.045  Negative charged surface: 205.846  Volume: 230.25
  Hydrophobic surface: 457.315  Hydrophilic surface: 13.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.