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ENAMINE-ZINC05633535

 MMsINC code: MMs01629140
Type: Neutral
Formula: C17H17FN2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2ccccc2F)ccc1
InChI:   InChI=1/C17H17FN2O4S/c18-16-7-2-1-6-15(16)17(21)19-13-4-3-5-14(12-13)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.397 g/mol  logS: -3.85489  SlogP: 2.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649949  Sterimol/B1: 2.35624  Sterimol/B2: 4.65399  Sterimol/B3: 5.10883
  Sterimol/B4: 6.42237  Sterimol/L: 16.9151 
 
 Surface and Volume Properties
  Accessible surface: 573.187  Positive charged surface: 346.191  Negative charged surface: 226.996  Volume: 313.375
  Hydrophobic surface: 474.228  Hydrophilic surface: 98.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.