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PUBCHEM-ZINC01598891

 MMsINC code: MMs02815848
Type: Neutral
Formula: C4H4N6S
SMILES:   s1nc2c(nc(nc2N)N)n1
InChI:   InChI=1/C4H4N6S/c5-2-1-3(10-11-9-1)8-4(6)7-2/h(H4,5,6,7,8,10)

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Potential Energy
Epot(MMFF94)=-0.171944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.184 g/mol  logS: -1.91675  SlogP: -0.3543  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.22184e-07  Sterimol/B1: 2.18451  Sterimol/B2: 2.18549  Sterimol/B3: 4.22689
  Sterimol/B4: 4.63792  Sterimol/L: 9.6279 
 
 Surface and Volume Properties
  Accessible surface: 303.74  Positive charged surface: 220.598  Negative charged surface: 83.1424  Volume: 127.375
  Hydrophobic surface: 0  Hydrophilic surface: 303.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.