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PUBCHEM-ZINC06763163

 MMsINC code: MMs03856598
Type: Neutral
Formula: C15H15BrN2O3S
SMILES:   Brc1ccc(NC(=O)C(NS(=O)(=O)c2ccccc2)C)cc1
InChI:   InChI=1/C15H15BrN2O3S/c1-11(15(19)17-13-9-7-12(16)8-10-13)18-22(20,21)14-5-3-2-4-6-14/h2-11,18H,1H3,(H,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=51.6543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.266 g/mol  logS: -4.63689  SlogP: 2.7546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124238  Sterimol/B1: 2.07707  Sterimol/B2: 4.19294  Sterimol/B3: 4.36891
  Sterimol/B4: 7.74488  Sterimol/L: 15.2377 
 
 Surface and Volume Properties
  Accessible surface: 569.561  Positive charged surface: 247.005  Negative charged surface: 322.556  Volume: 305.5
  Hydrophobic surface: 443.947  Hydrophilic surface: 125.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.