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NCID-ZINC05299075

 MMsINC code: MMs02450912
Type: Neutral
Formula: C5H6N2O2S
SMILES:   SCC1=CNC(=O)NC1=O
InChI:   InChI=1/C5H6N2O2S/c8-4-3(2-10)1-6-5(9)7-4/h1,10H,2H2,(H2,6,7,8,9)

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Potential Energy
Epot(MMFF94)=-18.1728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.181 g/mol  logS: -1.4111  SlogP: -0.3605  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0626183  Sterimol/B1: 2.44936  Sterimol/B2: 2.57615  Sterimol/B3: 3.43471
  Sterimol/B4: 5.16137  Sterimol/L: 10.577 
 
 Surface and Volume Properties
  Accessible surface: 305.079  Positive charged surface: 165.995  Negative charged surface: 139.084  Volume: 128.25
  Hydrophobic surface: 100.112  Hydrophilic surface: 204.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.