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PUBCHEM-ZINC01073224

 MMsINC code: MMs02764296
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(OC)=O)c1ccc(F)cc1)c1ccc(OCC)c
c1
InChI:   InChI=1/C24H23FN2O6S/c1-3-33-21-12-14-22(15-13-21)34(30,31)27(20-10-6-18(25)7-11-20)16-23(28)26-19-8-4-17(5-9-19)24(29)32-2/h4-15H,3,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -6.17303  SlogP: 3.845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582789  Sterimol/B1: 2.52378  Sterimol/B2: 3.9161  Sterimol/B3: 4.71787
  Sterimol/B4: 10.3579  Sterimol/L: 22.3675 
 
 Surface and Volume Properties
  Accessible surface: 772.616  Positive charged surface: 465.708  Negative charged surface: 306.908  Volume: 431.625
  Hydrophobic surface: 622.067  Hydrophilic surface: 150.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.