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ENAMINE-ZINC03289520

 MMsINC code: MMs01352463
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OCC(=O)NCc1ccc(F)cc1)=O
InChI:   InChI=1/C24H23FN2O6S/c1-27(21-5-3-4-6-22(21)32-2)34(30,31)20-13-9-18(10-14-20)24(29)33-16-23(28)26-15-17-7-11-19(25)12-8-17/h3-14H,15-16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -5.78986  SlogP: 3.399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369666  Sterimol/B1: 2.08879  Sterimol/B2: 3.23267  Sterimol/B3: 5.71733
  Sterimol/B4: 6.66434  Sterimol/L: 23.8371 
 
 Surface and Volume Properties
  Accessible surface: 752.209  Positive charged surface: 449.166  Negative charged surface: 303.043  Volume: 430.625
  Hydrophobic surface: 607.955  Hydrophilic surface: 144.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.