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PUBCHEM-ZINC04869884

 MMsINC code: MMs03180156
Type: Neutral
Formula: C10H14N2O4S
SMILES:   S(=O)(=O)(NC(C(=O)N)C)c1ccc(OC)cc1
InChI:   InChI=1/C10H14N2O4S/c1-7(10(11)13)12-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,12H,1-2H3,(H2,11,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=29.1993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.298 g/mol  logS: -1.87901  SlogP: -0.1527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150043  Sterimol/B1: 2.76808  Sterimol/B2: 3.85862  Sterimol/B3: 5.05434
  Sterimol/B4: 5.52724  Sterimol/L: 13.0779 
 
 Surface and Volume Properties
  Accessible surface: 453.952  Positive charged surface: 276.772  Negative charged surface: 177.181  Volume: 220.75
  Hydrophobic surface: 251.379  Hydrophilic surface: 202.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.