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NCID-ZINC01727728

 MMsINC code: MMs02351246
Type: Neutral
Formula: C13H12N2O5S2
SMILES:   S(=O)(=O)(NC(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12N2O5S2/c16-13(14-21(17,18)11-7-3-1-4-8-11)15-22(19,20)12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=-54.1786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.38 g/mol  logS: -3.69823  SlogP: 1.0634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111256  Sterimol/B1: 3.08362  Sterimol/B2: 3.4495  Sterimol/B3: 5.14957
  Sterimol/B4: 5.35895  Sterimol/L: 14.9564 
 
 Surface and Volume Properties
  Accessible surface: 521.748  Positive charged surface: 236.487  Negative charged surface: 285.261  Volume: 271.375
  Hydrophobic surface: 345.563  Hydrophilic surface: 176.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.