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ASINEX-ZINC04948405

 MMsINC code: MMs00410843
Type: Neutral
Formula: C16H11FN2OS
SMILES:   S\1\C(=C/c2ccccc2F)\C(=O)N/C/1=N\c1ccccc1
InChI:   InChI=1/C16H11FN2OS/c17-13-9-5-4-6-11(13)10-14-15(20)19-16(21-14)18-12-7-2-1-3-8-12/h1-10H,(H,18,19,20)/b14-10+

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Potential Energy
Epot(MMFF94)=58.1086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.341 g/mol  logS: -5.30427  SlogP: 3.7173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338283  Sterimol/B1: 2.53295  Sterimol/B2: 2.92834  Sterimol/B3: 3.62659
  Sterimol/B4: 5.99315  Sterimol/L: 15.8179 
 
 Surface and Volume Properties
  Accessible surface: 508.69  Positive charged surface: 245.754  Negative charged surface: 262.936  Volume: 266.625
  Hydrophobic surface: 404.064  Hydrophilic surface: 104.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.