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MAYBRIDGE-ZINC01026579

 MMsINC code: MMs02148558
Type: Neutral
Formula: C14H14N2O5S2
SMILES:   s1ccc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)c1C(OC)=O
InChI:   InChI=1/C14H14N2O5S2/c1-9(17)15-10-3-5-11(6-4-10)23(19,20)16-12-7-8-22-13(12)14(18)21-2/h3-8,16H,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=51.6693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.407 g/mol  logS: -3.44457  SlogP: 2.2939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156785  Sterimol/B1: 3.92189  Sterimol/B2: 4.43538  Sterimol/B3: 5.67269
  Sterimol/B4: 6.32337  Sterimol/L: 14.6766 
 
 Surface and Volume Properties
  Accessible surface: 553.926  Positive charged surface: 303.824  Negative charged surface: 250.102  Volume: 291.875
  Hydrophobic surface: 397.519  Hydrophilic surface: 156.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.