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PUBCHEM-ZINC00437794

 MMsINC code: MMs02683530
Type: Neutral
Formula: C10H11N5O4S
SMILES:   S(=O)(=O)(Nn1cnnc1)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C10H11N5O4S/c1-19-10(16)13-8-2-4-9(5-3-8)20(17,18)14-15-6-11-12-7-15/h2-7,14H,1H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=45.8336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.295 g/mol  logS: -2.18318  SlogP: 0.3888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586009  Sterimol/B1: 3.22606  Sterimol/B2: 3.63315  Sterimol/B3: 3.87357
  Sterimol/B4: 5.41058  Sterimol/L: 15.5981 
 
 Surface and Volume Properties
  Accessible surface: 480.408  Positive charged surface: 287.429  Negative charged surface: 192.979  Volume: 236.875
  Hydrophobic surface: 271.687  Hydrophilic surface: 208.721
 
 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.