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ENAMINE-ZINC03506580

 MMsINC code: MMs01480062
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1cc(ccc1)C(OCC(=O)NCCc1ccc(OC)cc1)=O
InChI:   InChI=1/C24H23FN2O6S/c1-32-21-11-5-17(6-12-21)13-14-26-23(28)16-33-24(29)18-3-2-4-22(15-18)34(30,31)27-20-9-7-19(25)8-10-20/h2-12,15,27H,13-14,16H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.3031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -5.77575  SlogP: 3.15077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291849  Sterimol/B1: 3.55644  Sterimol/B2: 3.84082  Sterimol/B3: 4.08206
  Sterimol/B4: 7.37373  Sterimol/L: 24.4038 
 
 Surface and Volume Properties
  Accessible surface: 789.624  Positive charged surface: 467.636  Negative charged surface: 321.988  Volume: 430.25
  Hydrophobic surface: 604.696  Hydrophilic surface: 184.928
 
 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.