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ASINEX-ZINC00618679

 MMsINC code: MMs00141527
Type: Neutral
Formula: C11H8N4OS2
SMILES:   s1c2cc(ccc2nc1C)C(=O)Nc1scnn1
InChI:   InChI=1/C11H8N4OS2/c1-6-13-8-3-2-7(4-9(8)18-6)10(16)14-11-15-12-5-17-11/h2-5H,1H3,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=51.8715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.344 g/mol  logS: -3.97048  SlogP: 2.70852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00364572  Sterimol/B1: 2.19229  Sterimol/B2: 2.51211  Sterimol/B3: 3.60804
  Sterimol/B4: 4.40403  Sterimol/L: 16.9692 
 
 Surface and Volume Properties
  Accessible surface: 470.472  Positive charged surface: 229.9  Negative charged surface: 240.572  Volume: 229.75
  Hydrophobic surface: 318.703  Hydrophilic surface: 151.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.