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ASINEX-ZINC03156799

 MMsINC code: MMs00287231
Type: Neutral
Formula: C15H9N3OS
SMILES:   S(c1ncnc2c1oc1c2cccc1)c1ncccc1
InChI:   InChI=1/C15H9N3OS/c1-2-6-11-10(5-1)13-14(19-11)15(18-9-17-13)20-12-7-3-4-8-16-12/h1-9H

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Potential Energy
Epot(MMFF94)=61.2928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.323 g/mol  logS: -5.75819  SlogP: 3.9222  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.08347e-07  Sterimol/B1: 2.18423  Sterimol/B2: 2.18577  Sterimol/B3: 4.29945
  Sterimol/B4: 4.60135  Sterimol/L: 16.0086 
 
 Surface and Volume Properties
  Accessible surface: 490.878  Positive charged surface: 288.389  Negative charged surface: 196.645  Volume: 251.625
  Hydrophobic surface: 372.448  Hydrophilic surface: 118.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.