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ASINEX-ZINC01470794

 MMsINC code: MMs00255062
Type: Neutral
Formula: C5H4N4O2S
SMILES:   s1nc2c(n1)N(C)C(=O)NC2=O
InChI:   InChI=1/C5H4N4O2S/c1-9-3-2(7-12-8-3)4(10)6-5(9)11/h1H3,(H,6,10,11)

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Potential Energy
Epot(MMFF94)=-7.50223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.179 g/mol  logS: -0.99036  SlogP: -0.1623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030526  Sterimol/B1: 2.18815  Sterimol/B2: 2.51315  Sterimol/B3: 4.33439
  Sterimol/B4: 4.79815  Sterimol/L: 9.01408 
 
 Surface and Volume Properties
  Accessible surface: 314.413  Positive charged surface: 212.986  Negative charged surface: 101.427  Volume: 137.375
  Hydrophobic surface: 74.7392  Hydrophilic surface: 239.6738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.