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PUBCHEM-ZINC03818457

 MMsINC code: MMs03077202
Type: Neutral
Formula: C14H19FN2O5S
SMILES:   S(=O)(=O)(NC(C(=O)NO)C1CCOCC1)c1cc(C)c(F)cc1
InChI:   InChI=1/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=62.1732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.379 g/mol  logS: -2.53161  SlogP: 0.71302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185827  Sterimol/B1: 3.93912  Sterimol/B2: 4.16901  Sterimol/B3: 4.55714
  Sterimol/B4: 6.16476  Sterimol/L: 13.1554 
 
 Surface and Volume Properties
  Accessible surface: 533.392  Positive charged surface: 316.991  Negative charged surface: 216.401  Volume: 291.75
  Hydrophobic surface: 346.257  Hydrophilic surface: 187.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.