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ENAMINE-ZINC03393826

 MMsINC code: MMs01415427
Type: Neutral
Formula: C22H19FN2O5S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(cc1)C(OCC(=O)NCc1ccc(F)cc1)=O
InChI:   InChI=1/C22H19FN2O5S/c23-18-10-6-16(7-11-18)14-24-21(26)15-30-22(27)17-8-12-20(13-9-17)31(28,29)25-19-4-2-1-3-5-19/h1-13,25H,14-15H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=71.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.467 g/mol  logS: -5.6639  SlogP: 3.3661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435493  Sterimol/B1: 2.47005  Sterimol/B2: 3.82498  Sterimol/B3: 4.24107
  Sterimol/B4: 7.93291  Sterimol/L: 21.4477 
 
 Surface and Volume Properties
  Accessible surface: 724.353  Positive charged surface: 385.249  Negative charged surface: 339.104  Volume: 386.375
  Hydrophobic surface: 547.962  Hydrophilic surface: 176.391
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.