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ASINEX-ZINC01470792

 MMsINC code: MMs00255059
Type: Neutral
Formula: C4H2N4O2S
SMILES:   s1nc2c(n1)NC(=O)NC2=O
InChI:   InChI=1/C4H2N4O2S/c9-3-1-2(8-11-7-1)5-4(10)6-3/h(H2,5,6,8,9,10)

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Potential Energy
Epot(MMFF94)=-16.2734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.152 g/mol  logS: -1.09635  SlogP: -0.1866  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.98705e-07  Sterimol/B1: 2.18481  Sterimol/B2: 2.18519  Sterimol/B3: 3.70334
  Sterimol/B4: 4.29567  Sterimol/L: 9.69973 
 
 Surface and Volume Properties
  Accessible surface: 284.831  Positive charged surface: 169.13  Negative charged surface: 115.701  Volume: 118.125
  Hydrophobic surface: 0  Hydrophilic surface: 284.831
 
 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.