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PUBCHEM-ZINC02854113

 MMsINC code: MMs02940250
Type: Neutral
Formula: C19H22FN3O5S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1C(=O)NCCOC)c1cc(F)ccc1)C
InChI:   InChI=1/C19H22FN3O5S/c1-28-11-10-21-19(25)16-8-3-4-9-17(16)22-18(24)13-23(29(2,26)27)15-7-5-6-14(20)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,25)(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.465 g/mol  logS: -3.87862  SlogP: 1.6066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090985  Sterimol/B1: 4.10609  Sterimol/B2: 4.24696  Sterimol/B3: 5.29073
  Sterimol/B4: 6.8449  Sterimol/L: 19.0243 
 
 Surface and Volume Properties
  Accessible surface: 678.471  Positive charged surface: 421.333  Negative charged surface: 257.138  Volume: 370
  Hydrophobic surface: 556.043  Hydrophilic surface: 122.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.