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PUBCHEM-ZINC06175228

 MMsINC code: MMs03581291
Type: Neutral
Formula: C11H17N3O5S
SMILES:   S(=O)(=O)(NC(C(=O)NN)C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C11H17N3O5S/c1-7(11(15)13-12)14-20(16,17)8-4-5-9(18-2)10(6-8)19-3/h4-7,14H,12H2,1-3H3,(H,13,15)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=77.4906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.339 g/mol  logS: -1.90932  SlogP: -0.6395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27139  Sterimol/B1: 4.37967  Sterimol/B2: 4.73064  Sterimol/B3: 4.73746
  Sterimol/B4: 5.78421  Sterimol/L: 13.0913 
 
 Surface and Volume Properties
  Accessible surface: 515.093  Positive charged surface: 348.325  Negative charged surface: 166.768  Volume: 258.875
  Hydrophobic surface: 282.579  Hydrophilic surface: 232.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.