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ASINEX-ZINC04454867

 MMsINC code: MMs00338580
Type: Neutral
Formula: C11H13FN2O3S
SMILES:   S1(=O)(=O)CC(NC(=O)Nc2ccc(F)cc2)CC1
InChI:   InChI=1/C11H13FN2O3S/c12-8-1-3-9(4-2-8)13-11(15)14-10-5-6-18(16,17)7-10/h1-4,10H,5-7H2,(H2,13,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.8322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.3 g/mol  logS: -2.18495  SlogP: 1.1343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701468  Sterimol/B1: 3.04545  Sterimol/B2: 3.25345  Sterimol/B3: 4.1571
  Sterimol/B4: 4.75372  Sterimol/L: 14.8496 
 
 Surface and Volume Properties
  Accessible surface: 465.223  Positive charged surface: 251.299  Negative charged surface: 213.924  Volume: 228.125
  Hydrophobic surface: 331.842  Hydrophilic surface: 133.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.