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ASINEX-ZINC00921561

 MMsINC code: MMs00221411
Type: Neutral
Formula: C19H21FN2O4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)N1CCOCC1)c1ccc(F)cc1
InChI:   InChI=1/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(24,25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2

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Potential Energy
Epot(MMFF94)=85.0368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.451 g/mol  logS: -3.71938  SlogP: 2.1418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105586  Sterimol/B1: 2.26965  Sterimol/B2: 3.63839  Sterimol/B3: 3.79893
  Sterimol/B4: 10.3417  Sterimol/L: 14.8646 
 
 Surface and Volume Properties
  Accessible surface: 600.565  Positive charged surface: 376.551  Negative charged surface: 224.014  Volume: 347.625
  Hydrophobic surface: 531.573  Hydrophilic surface: 68.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.