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NCID-ZINC01691295

 MMsINC code: MMs02323417
Type: Neutral
Formula: C9H11N3O4S
SMILES:   S(=O)(=O)(NC(=O)NC(=O)C)c1ccc(N)cc1
InChI:   InChI=1/C9H11N3O4S/c1-6(13)11-9(14)12-17(15,16)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-16.5627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.27 g/mol  logS: -1.76683  SlogP: -0.1968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109978  Sterimol/B1: 2.57319  Sterimol/B2: 2.86025  Sterimol/B3: 4.44217
  Sterimol/B4: 6.58067  Sterimol/L: 13.4527 
 
 Surface and Volume Properties
  Accessible surface: 441.136  Positive charged surface: 248.804  Negative charged surface: 192.332  Volume: 210.5
  Hydrophobic surface: 215.006  Hydrophilic surface: 226.13
 
 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.