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PUBCHEM-ZINC05567158

 MMsINC code: MMs03308900
Type: Neutral
Formula: C6H6N4S2
SMILES:   S(Sc1cn[nH]c1)c1cn[nH]c1
InChI:   InChI=1/C6H6N4S2/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=21.0691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.274 g/mol  logS: -2.20602  SlogP: 1.9322  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114054  Sterimol/B1: 2.66333  Sterimol/B2: 3.17413  Sterimol/B3: 3.80452
  Sterimol/B4: 3.84533  Sterimol/L: 11.3047 
 
 Surface and Volume Properties
  Accessible surface: 358.091  Positive charged surface: 180.23  Negative charged surface: 177.86  Volume: 162.5
  Hydrophobic surface: 177.643  Hydrophilic surface: 180.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.