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ASINEX-ZINC01670207

 MMsINC code: MMs00255649
Type: Neutral
Formula: C7H9N5OS
SMILES:   S(CCO)c1[nH]c2ncnc(N)c2n1
InChI:   InChI=1/C7H9N5OS/c8-5-4-6(10-3-9-5)12-7(11-4)14-2-1-13/h3,13H,1-2H2,(H3,8,9,10,11,12)

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Potential Energy
Epot(MMFF94)=22.0609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.249 g/mol  logS: -2.92468  SlogP: 0.0195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013327  Sterimol/B1: 2.37454  Sterimol/B2: 2.37617  Sterimol/B3: 3.7103
  Sterimol/B4: 4.98055  Sterimol/L: 13.8153 
 
 Surface and Volume Properties
  Accessible surface: 404.601  Positive charged surface: 300.707  Negative charged surface: 103.895  Volume: 181.375
  Hydrophobic surface: 124.734  Hydrophilic surface: 279.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.