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PUBCHEM-ZINC05888079

 MMsINC code: MMs03430136
Type: Neutral
Formula: C16H15N3O5S2
SMILES:   S(=O)(=O)(c1c2cc(NS(=O)(=O)C)ccc2[nH]c1C(=O)N)c1ccccc1
InChI:   InChI=1/C16H15N3O5S2/c1-25(21,22)19-10-7-8-13-12(9-10)15(14(18-13)16(17)20)26(23,24)11-5-3-2-4-6-11/h2-9,18-19H,1H3,(H2,17,20)

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Potential Energy
Epot(MMFF94)=63.5312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.444 g/mol  logS: -3.88235  SlogP: 1.4711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11163  Sterimol/B1: 2.22466  Sterimol/B2: 3.95851  Sterimol/B3: 5.50077
  Sterimol/B4: 7.27233  Sterimol/L: 14.5195 
 
 Surface and Volume Properties
  Accessible surface: 569.045  Positive charged surface: 280.843  Negative charged surface: 283.758  Volume: 319.25
  Hydrophobic surface: 327.087  Hydrophilic surface: 241.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.