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PUBCHEM-ZINC05378264

 MMsINC code: MMs03251249
Type: Neutral
Formula: C9H12N4O3S
SMILES:   S(C)c1[nH]c(NC(=O)C)c(C(=O)N)c1C(=O)N
InChI:   InChI=1/C9H12N4O3S/c1-3(14)12-8-4(6(10)15)5(7(11)16)9(13-8)17-2/h13H,1-2H3,(H2,10,15)(H2,11,16)(H,12,14)

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Potential Energy
Epot(MMFF94)=22.1856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.286 g/mol  logS: -2.18571  SlogP: -0.1072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767734  Sterimol/B1: 2.65155  Sterimol/B2: 3.4813  Sterimol/B3: 5.05726
  Sterimol/B4: 6.84102  Sterimol/L: 12.5257 
 
 Surface and Volume Properties
  Accessible surface: 458.342  Positive charged surface: 248.292  Negative charged surface: 210.05  Volume: 219.125
  Hydrophobic surface: 185.308  Hydrophilic surface: 273.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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.