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ASINEX-ZINC00902483

 MMsINC code: MMs00213013
Type: Neutral
Formula: C14H15N3O4S2
SMILES:   s1ccnc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChI:   InChI=1/C14H15N3O4S2/c18-13(16-14-15-5-10-22-14)11-1-3-12(4-2-11)23(19,20)17-6-8-21-9-7-17/h1-5,10H,6-9H2,(H,15,16,18)

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Potential Energy
Epot(MMFF94)=67.7877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.423 g/mol  logS: -3.03128  SlogP: 1.4163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470076  Sterimol/B1: 2.44112  Sterimol/B2: 3.71031  Sterimol/B3: 3.75948
  Sterimol/B4: 5.76037  Sterimol/L: 17.5771 
 
 Surface and Volume Properties
  Accessible surface: 551.918  Positive charged surface: 338.254  Negative charged surface: 213.664  Volume: 296.625
  Hydrophobic surface: 417.472  Hydrophilic surface: 134.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.