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OTAVA-ZINC01916801

 MMsINC code: MMs02566701
Type: Neutral
Formula: C11H10N4O6S
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C(O)=O)C1=NNC(=O)NC1=O
InChI:   InChI=1/C11H10N4O6S/c16-8-9(14-15-11(19)13-8)22(20,21)12-5-6-1-3-7(4-2-6)10(17)18/h1-4,12H,5H2,(H,17,18)(H2,13,15,16,19)

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Potential Energy
Epot(MMFF94)=34.0942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.289 g/mol  logS: -2.28024  SlogP: -0.7765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634826  Sterimol/B1: 2.87076  Sterimol/B2: 3.39462  Sterimol/B3: 4.34451
  Sterimol/B4: 5.72679  Sterimol/L: 16.4899 
 
 Surface and Volume Properties
  Accessible surface: 505.91  Positive charged surface: 252.937  Negative charged surface: 252.973  Volume: 247.875
  Hydrophobic surface: 150.765  Hydrophilic surface: 355.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02566702
OTAVA-ZINC01916801