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ASINEX-ZINC00029553

 MMsINC code: MMs00059837
Type: Neutral
Formula: C10H14FNO2S
SMILES:   S(=O)(=O)(NC(C)(C)C)c1ccc(F)cc1
InChI:   InChI=1/C10H14FNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3

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Potential Energy
Epot(MMFF94)=28.2197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.291 g/mol  logS: -2.49947  SlogP: 1.9025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234864  Sterimol/B1: 2.7692  Sterimol/B2: 3.59167  Sterimol/B3: 4.02161
  Sterimol/B4: 4.88986  Sterimol/L: 11.4309 
 
 Surface and Volume Properties
  Accessible surface: 399.532  Positive charged surface: 214.227  Negative charged surface: 185.305  Volume: 202.5
  Hydrophobic surface: 282.077  Hydrophilic surface: 117.455
 
 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.