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PUBCHEM-ZINC05415840

 MMsINC code: MMs03261909
Type: Neutral
Formula: C13H11NO4S2
SMILES:   s1cc(cc1)C(=O)C(=O)NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C13H11NO4S2/c1-9-2-4-11(5-3-9)20(17,18)14-13(16)12(15)10-6-7-19-8-10/h2-8H,1H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=29.4768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -4.03698  SlogP: 1.74432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979687  Sterimol/B1: 2.64377  Sterimol/B2: 2.74944  Sterimol/B3: 4.56699
  Sterimol/B4: 7.47747  Sterimol/L: 14.6762 
 
 Surface and Volume Properties
  Accessible surface: 502.454  Positive charged surface: 207.919  Negative charged surface: 294.535  Volume: 255.125
  Hydrophobic surface: 369.564  Hydrophilic surface: 132.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.