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NCID-ZINC04972375

 MMsINC code: MMs02421083
Type: Neutral
Formula: C11H10N4O4S
SMILES:   S(=O)(=O)(N)c1ccc(N=NC2=CC=C(O)NC2=O)cc1
InChI:   InChI=1/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)/b15-14+

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Potential Energy
Epot(MMFF94)=27.3514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.291 g/mol  logS: -2.80907  SlogP: 0.8308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176622  Sterimol/B1: 2.48813  Sterimol/B2: 2.64886  Sterimol/B3: 3.36398
  Sterimol/B4: 5.70587  Sterimol/L: 16.6624 
 
 Surface and Volume Properties
  Accessible surface: 490.676  Positive charged surface: 249.459  Negative charged surface: 241.216  Volume: 236.5
  Hydrophobic surface: 238.127  Hydrophilic surface: 252.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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


MMs02421084
NCID-ZINC04972375