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ASINEX-ZINC00534889

 MMsINC code: MMs00138458
Type: Neutral
Formula: C10H13N3O4S
SMILES:   S(CC(OC)=O)c1nc(N)c(cn1)C(OCC)=O
InChI:   InChI=1/C10H13N3O4S/c1-3-17-9(15)6-4-12-10(13-8(6)11)18-5-7(14)16-2/h4H,3,5H2,1-2H3,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=19.8344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.297 g/mol  logS: -3.06013  SlogP: 0.5006  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0108727  Sterimol/B1: 2.01144  Sterimol/B2: 2.41615  Sterimol/B3: 2.50929
  Sterimol/B4: 7.78226  Sterimol/L: 16.8485 
 
 Surface and Volume Properties
  Accessible surface: 506.883  Positive charged surface: 372.734  Negative charged surface: 134.149  Volume: 237.375
  Hydrophobic surface: 278.947  Hydrophilic surface: 227.936
 
 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.