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ASINEX-ZINC04898297

 MMsINC code: MMs00398589
Type: Neutral
Formula: C10H9FN4OS2
SMILES:   s1nc(SC)nc1NC(=O)Nc1ccccc1F
InChI:   InChI=1/C10H9FN4OS2/c1-17-10-14-9(18-15-10)13-8(16)12-7-5-3-2-4-6(7)11/h2-5H,1H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=30.6164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.339 g/mol  logS: -5.10838  SlogP: 3.0431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133598  Sterimol/B1: 2.47791  Sterimol/B2: 2.83491  Sterimol/B3: 3.67612
  Sterimol/B4: 4.38036  Sterimol/L: 16.9028 
 
 Surface and Volume Properties
  Accessible surface: 481.983  Positive charged surface: 272.358  Negative charged surface: 209.624  Volume: 230.375
  Hydrophobic surface: 321.726  Hydrophilic surface: 160.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.