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PUBCHEM-ZINC00381896

 MMsINC code: MMs02667804
Type: Neutral
Formula: C8H8N2O2S3
SMILES:   s1c2cc(S(=O)(=O)N)ccc2nc1SC
InChI:   InChI=1/C8H8N2O2S3/c1-13-8-10-6-3-2-5(15(9,11)12)4-7(6)14-8/h2-4H,1H3,(H2,9,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.337503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.362 g/mol  logS: -3.91974  SlogP: 1.6656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407765  Sterimol/B1: 2.91523  Sterimol/B2: 3.094  Sterimol/B3: 3.57605
  Sterimol/B4: 4.73528  Sterimol/L: 14.2125 
 
 Surface and Volume Properties
  Accessible surface: 433.619  Positive charged surface: 190.041  Negative charged surface: 243.577  Volume: 202.375
  Hydrophobic surface: 232.79  Hydrophilic surface: 200.829
 
 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


MMs02667805
PUBCHEM-ZINC00381896