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ASINEX-ZINC04898298

 MMsINC code: MMs00398590
Type: Neutral
Formula: C10H9FN4OS2
SMILES:   s1nc(SC)nc1NC(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C10H9FN4OS2/c1-17-10-14-9(18-15-10)13-8(16)12-7-4-2-6(11)3-5-7/h2-5H,1H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=25.2804 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: 0.0134733  Sterimol/B1: 2.47347  Sterimol/B2: 2.8519  Sterimol/B3: 3.61344
  Sterimol/B4: 4.1521  Sterimol/L: 17.1508 
 
 Surface and Volume Properties
  Accessible surface: 481.026  Positive charged surface: 269.602  Negative charged surface: 211.424  Volume: 229.375
  Hydrophobic surface: 318.753  Hydrophilic surface: 162.273
 
 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.