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ASINEX-ZINC04121328

 MMsINC code: MMs00305195
Type: Neutral
Formula: C10H9FN2OS
SMILES:   S1C(Cc2ccc(F)cc2)C(=O)NC1=N
InChI:   InChI=1/C10H9FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=9.94208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.259 g/mol  logS: -3.67221  SlogP: 1.53454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549271  Sterimol/B1: 2.2482  Sterimol/B2: 2.54731  Sterimol/B3: 3.496
  Sterimol/B4: 5.85624  Sterimol/L: 12.8021 
 
 Surface and Volume Properties
  Accessible surface: 397.194  Positive charged surface: 198.063  Negative charged surface: 199.131  Volume: 192.75
  Hydrophobic surface: 226.446  Hydrophilic surface: 170.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.