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CHEMBLOCK-ZINC04189270

 MMsINC code: MMs00546249
Type: Neutral
Formula: C6H5N3OS2
SMILES:   S1CC(=O)N(C1=N)c1sccn1
InChI:   InChI=1/C6H5N3OS2/c7-5-9(4(10)3-12-5)6-8-1-2-11-6/h1-2,7H,3H2/b7-5-

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Potential Energy
Epot(MMFF94)=19.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.258 g/mol  logS: -2.7371  SlogP: 1.15767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0162833  Sterimol/B1: 2.37983  Sterimol/B2: 2.38327  Sterimol/B3: 2.98565
  Sterimol/B4: 5.47329  Sterimol/L: 10.9208 
 
 Surface and Volume Properties
  Accessible surface: 344.948  Positive charged surface: 187.411  Negative charged surface: 157.537  Volume: 157.625
  Hydrophobic surface: 188.118  Hydrophilic surface: 156.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.