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ENAMINE-ZINC03459160

 MMsINC code: MMs01456022
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1)C(OCC(=O)NCc1ccc(F)cc1)=O
InChI:   InChI=1/C24H23FN2O5S/c1-2-27(21-8-4-3-5-9-21)33(30,31)22-10-6-7-19(15-22)24(29)32-17-23(28)26-16-18-11-13-20(25)14-12-18/h3-15H,2,16-17H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.1803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.521 g/mol  logS: -6.06669  SlogP: 3.7805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041858  Sterimol/B1: 2.49816  Sterimol/B2: 3.37404  Sterimol/B3: 5.31678
  Sterimol/B4: 7.44942  Sterimol/L: 23.4713 
 
 Surface and Volume Properties
  Accessible surface: 750.302  Positive charged surface: 405.309  Negative charged surface: 344.993  Volume: 422.625
  Hydrophobic surface: 584.516  Hydrophilic surface: 165.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.