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PUBCHEM-ZINC00442383

 MMsINC code: MMs02684077
Type: Neutral
Formula: C11H6BrCl2NO2
SMILES:   Brc1oc(cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChI:   InChI=1/C11H6BrCl2NO2/c12-10-2-1-9(17-10)11(16)15-8-4-6(13)3-7(14)5-8/h1-5H,(H,15,16)

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Potential Energy
Epot(MMFF94)=35.3913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.984 g/mol  logS: -5.97667  SlogP: 4.6012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154161  Sterimol/B1: 2.33398  Sterimol/B2: 3.22404  Sterimol/B3: 3.78577
  Sterimol/B4: 5.5141  Sterimol/L: 14.3373 
 
 Surface and Volume Properties
  Accessible surface: 485.448  Positive charged surface: 140.142  Negative charged surface: 345.306  Volume: 236.375
  Hydrophobic surface: 432.762  Hydrophilic surface: 52.686
 
 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.