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ASINEX-ZINC00246294

 MMsINC code: MMs00098558
Type: Neutral
Formula: C11H15FN2O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)C)c1ccc(F)cc1
InChI:   InChI=1/C11H15FN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3

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Potential Energy
Epot(MMFF94)=45.1626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.317 g/mol  logS: -1.64015  SlogP: 0.7618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847989  Sterimol/B1: 2.30105  Sterimol/B2: 3.61867  Sterimol/B3: 3.61967
  Sterimol/B4: 4.65498  Sterimol/L: 13.8196 
 
 Surface and Volume Properties
  Accessible surface: 442.986  Positive charged surface: 290.296  Negative charged surface: 152.69  Volume: 226.5
  Hydrophobic surface: 385.198  Hydrophilic surface: 57.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00098559
ASINEX-ZINC00246294