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PUBCHEM-ZINC06316280

 MMsINC code: MMs03670712
Type: Neutral
Formula: C13H11BrN2O3S
SMILES:   Brc1cc(S(=O)(=O)Nc2ccc(cc2)C(=O)N)ccc1
InChI:   InChI=1/C13H11BrN2O3S/c14-10-2-1-3-12(8-10)20(18,19)16-11-6-4-9(5-7-11)13(15)17/h1-8,16H,(H2,15,17)

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Potential Energy
Epot(MMFF94)=34.9208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.212 g/mol  logS: -4.38923  SlogP: 2.3488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134465  Sterimol/B1: 2.29437  Sterimol/B2: 2.71042  Sterimol/B3: 5.04511
  Sterimol/B4: 6.58891  Sterimol/L: 14.7327 
 
 Surface and Volume Properties
  Accessible surface: 500.348  Positive charged surface: 216.844  Negative charged surface: 283.504  Volume: 270.375
  Hydrophobic surface: 314.154  Hydrophilic surface: 186.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.