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ASINEX-ZINC00378891

 MMsINC code: MMs00126761
Type: Neutral
Formula: C13H20FNO2S
SMILES:   S(=O)(=O)(NC(C(C)C)C(C)C)c1ccc(F)cc1
InChI:   InChI=1/C13H20FNO2S/c1-9(2)13(10(3)4)15-18(16,17)12-7-5-11(14)6-8-12/h5-10,13,15H,1-4H3

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Potential Energy
Epot(MMFF94)=23.7915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.372 g/mol  logS: -2.97934  SlogP: 2.7846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245913  Sterimol/B1: 2.48715  Sterimol/B2: 4.16539  Sterimol/B3: 5.1006
  Sterimol/B4: 6.14424  Sterimol/L: 12.5113 
 
 Surface and Volume Properties
  Accessible surface: 455.457  Positive charged surface: 256.433  Negative charged surface: 199.024  Volume: 257.5
  Hydrophobic surface: 329.509  Hydrophilic surface: 125.948
 
 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.