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MAYBRIDGE-ZINC00079195

 MMsINC code: MMs02128632
Type: Neutral
Formula: C11H12FNO2S
SMILES:   S(=O)(=O)(NC(C#C)(C)C)c1ccc(F)cc1
InChI:   InChI=1/C11H12FNO2S/c1-4-11(2,3)13-16(14,15)10-7-5-9(12)6-8-10/h1,5-8,13H,2-3H3

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Potential Energy
Epot(MMFF94)=20.0179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.286 g/mol  logS: -3.09091  SlogP: 1.51581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24003  Sterimol/B1: 2.22377  Sterimol/B2: 3.85249  Sterimol/B3: 4.63579
  Sterimol/B4: 5.02186  Sterimol/L: 12.2075 
 
 Surface and Volume Properties
  Accessible surface: 418.631  Positive charged surface: 191.697  Negative charged surface: 226.934  Volume: 211.75
  Hydrophobic surface: 313.27  Hydrophilic surface: 105.361
 
 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.