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ASINEX-ZINC01223598

 MMsINC code: MMs00232385
Type: Neutral
Formula: C19H14FN3O2S
SMILES:   S(CC(=O)Nc1ccc(F)cc1)c1nc2cc(OC)ccc2cc1C#N
InChI:   InChI=1/C19H14FN3O2S/c1-25-16-7-2-12-8-13(10-21)19(23-17(12)9-16)26-11-18(24)22-15-5-3-14(20)4-6-15/h2-9H,11H2,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=89.5338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.404 g/mol  logS: -5.9988  SlogP: 3.98498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0096804  Sterimol/B1: 2.54242  Sterimol/B2: 2.5545  Sterimol/B3: 2.86047
  Sterimol/B4: 10.1015  Sterimol/L: 18.88 
 
 Surface and Volume Properties
  Accessible surface: 631.011  Positive charged surface: 352.337  Negative charged surface: 272.71  Volume: 330.625
  Hydrophobic surface: 457.106  Hydrophilic surface: 173.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.