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OAKWOOD-ZINC04299054

 MMsINC code: MMs02552609
Type: Neutral
Formula: C11H15FN2O2S
SMILES:   S(=O)(=O)(N1CCC(N)CC1)c1ccc(F)cc1
InChI:   InChI=1/C11H15FN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2

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Potential Energy
Epot(MMFF94)=12.3233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.317 g/mol  logS: -1.83716  SlogP: 0.9375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297347  Sterimol/B1: 2.73496  Sterimol/B2: 3.07497  Sterimol/B3: 4.83325
  Sterimol/B4: 5.77144  Sterimol/L: 11.3012 
 
 Surface and Volume Properties
  Accessible surface: 430.536  Positive charged surface: 261.455  Negative charged surface: 169.081  Volume: 224.625
  Hydrophobic surface: 311.949  Hydrophilic surface: 118.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02552610
OAKWOOD-ZINC04299054