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NCID-ZINC01644054

 MMsINC code: MMs02285279
Type: Neutral
Formula: C10H9N3O4S
SMILES:   S(=O)(=O)(C1=CNC(=O)NC1=O)c1ccc(N)cc1
InChI:   InChI=1/C10H9N3O4S/c11-6-1-3-7(4-2-6)18(16,17)8-5-12-10(15)13-9(8)14/h1-5H,11H2,(H2,12,13,14,15)

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Potential Energy
Epot(MMFF94)=10.8918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.265 g/mol  logS: -2.13451  SlogP: -0.2767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141874  Sterimol/B1: 2.74972  Sterimol/B2: 3.96993  Sterimol/B3: 4.18746
  Sterimol/B4: 5.05239  Sterimol/L: 12.9955 
 
 Surface and Volume Properties
  Accessible surface: 424.95  Positive charged surface: 219.825  Negative charged surface: 205.125  Volume: 209.625
  Hydrophobic surface: 165.037  Hydrophilic surface: 259.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.