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ENAMINE-ZINC03431076

 MMsINC code: MMs01437615
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC(=O)NCc1ccc(F)cc1)=O)c1ccc(OCC)cc1
InChI:   InChI=1/C24H23FN2O6S/c1-2-32-19-11-13-20(14-12-19)34(30,31)27-22-6-4-3-5-21(22)24(29)33-16-23(28)26-15-17-7-9-18(25)10-8-17/h3-14,27H,2,15-16H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -6.04149  SlogP: 3.7648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855814  Sterimol/B1: 1.99801  Sterimol/B2: 3.85362  Sterimol/B3: 6.80737
  Sterimol/B4: 10.0335  Sterimol/L: 20.1535 
 
 Surface and Volume Properties
  Accessible surface: 785.505  Positive charged surface: 449.671  Negative charged surface: 335.834  Volume: 429.625
  Hydrophobic surface: 603.157  Hydrophilic surface: 182.348
 
 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.