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ENAMINE-ZINC03467768

 MMsINC code: MMs01460254
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(cc1)C(OCC(=O)NCc1ccc(F)cc1)=O
InChI:   InChI=1/C24H23FN2O5S/c1-2-27(21-6-4-3-5-7-21)33(30,31)22-14-10-19(11-15-22)24(29)32-17-23(28)26-16-18-8-12-20(25)13-9-18/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)=91.0558 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: 0.043586  Sterimol/B1: 2.43426  Sterimol/B2: 2.96918  Sterimol/B3: 5.56224
  Sterimol/B4: 6.86234  Sterimol/L: 23.8428 
 
 Surface and Volume Properties
  Accessible surface: 744.979  Positive charged surface: 404.16  Negative charged surface: 340.82  Volume: 422.25
  Hydrophobic surface: 575.527  Hydrophilic surface: 169.452
 
 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.