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ENAMINE-ZINC03450300

 MMsINC code: MMs01450018
Type: Neutral
Formula: C24H21FN2O5S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(OCC(=O)NCc1ccc(F)cc1)=O)\C=C\c1ccccc1
InChI:   InChI=1/C24H21FN2O5S/c25-21-11-9-19(10-12-21)16-26-23(28)17-32-24(29)20-7-4-8-22(15-20)27-33(30,31)14-13-18-5-2-1-3-6-18/h1-15,27H,16-17H2,(H,26,28)/b14-13+

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Potential Energy
Epot(MMFF94)=81.9905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.505 g/mol  logS: -5.88051  SlogP: 3.9779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364497  Sterimol/B1: 2.52641  Sterimol/B2: 3.54745  Sterimol/B3: 4.1026
  Sterimol/B4: 9.63155  Sterimol/L: 21.6034 
 
 Surface and Volume Properties
  Accessible surface: 785.046  Positive charged surface: 404.784  Negative charged surface: 380.261  Volume: 416.75
  Hydrophobic surface: 607.413  Hydrophilic surface: 177.633
 
 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.