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ENAMINE-ZINC03348655

 MMsINC code: MMs01388053
Type: Neutral
Formula: C22H19FN2O5S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(OCC(=O)Nc1ccc(F)cc1)=O
InChI:   InChI=1/C22H19FN2O5S/c23-18-9-11-19(12-10-18)25-21(26)15-30-22(27)17-7-4-8-20(13-17)31(28,29)24-14-16-5-2-1-3-6-16/h1-13,24H,14-15H2,(H,25,26)

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Potential Energy
Epot(MMFF94)=70.5355 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: 0.0483895  Sterimol/B1: 2.1145  Sterimol/B2: 3.3788  Sterimol/B3: 5.05715
  Sterimol/B4: 8.15056  Sterimol/L: 21.7729 
 
 Surface and Volume Properties
  Accessible surface: 732.3  Positive charged surface: 374.741  Negative charged surface: 357.56  Volume: 388.375
  Hydrophobic surface: 561.772  Hydrophilic surface: 170.528
 
 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.