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MAYBRIDGE-ZINC00150862

 MMsINC code: MMs02141674
Type: Neutral
Formula: C8H8N2O3S2
SMILES:   S1N(c2c(cc(S(=O)(=O)N)cc2)C1=O)C
InChI:   InChI=1/C8H8N2O3S2/c1-10-7-3-2-5(15(9,12)13)4-6(7)8(11)14-10/h2-4H,1H3,(H2,9,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.3959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.295 g/mol  logS: -2.91547  SlogP: 0.5722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595022  Sterimol/B1: 2.86854  Sterimol/B2: 2.89091  Sterimol/B3: 3.13445
  Sterimol/B4: 6.1572  Sterimol/L: 12.124 
 
 Surface and Volume Properties
  Accessible surface: 393.727  Positive charged surface: 196.257  Negative charged surface: 197.469  Volume: 188.5
  Hydrophobic surface: 212.668  Hydrophilic surface: 181.059
 
 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


MMs02141675
MAYBRIDGE-ZINC00150862