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MAYBRIDGE-ZINC04371450

 MMsINC code: MMs02172362
Type: Neutral
Formula: C7H10N4O2S2
SMILES:   S(=O)(=O)(N)c1ccc(NNC(=S)N)cc1
InChI:   InChI=1/C7H10N4O2S2/c8-7(14)11-10-5-1-3-6(4-2-5)15(9,12)13/h1-4,10H,(H3,8,11,14)(H2,9,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.315 g/mol  logS: -2.31158  SlogP: -0.5059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033565  Sterimol/B1: 2.46524  Sterimol/B2: 2.73908  Sterimol/B3: 3.27671
  Sterimol/B4: 5.76531  Sterimol/L: 14.2179 
 
 Surface and Volume Properties
  Accessible surface: 425.395  Positive charged surface: 195.089  Negative charged surface: 230.306  Volume: 197.625
  Hydrophobic surface: 130.916  Hydrophilic surface: 294.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02172363
MAYBRIDGE-ZINC04371450