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ASINEX-ZINC05006590

 MMsINC code: MMs00434151
Type: Neutral
Formula: C16H10F2N2OS
SMILES:   S\1\C(=C\c2ccc(F)cc2)\C(=O)N/C/1=N/c1ccccc1F
InChI:   InChI=1/C16H10F2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)/b14-9-

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Potential Energy
Epot(MMFF94)=68.4608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.331 g/mol  logS: -5.59925  SlogP: 3.8564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625858  Sterimol/B1: 2.26133  Sterimol/B2: 3.47682  Sterimol/B3: 4.48166
  Sterimol/B4: 7.6534  Sterimol/L: 14.0273 
 
 Surface and Volume Properties
  Accessible surface: 516.67  Positive charged surface: 249.658  Negative charged surface: 267.013  Volume: 269.375
  Hydrophobic surface: 409.009  Hydrophilic surface: 107.661
 
 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.