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PUBCHEM-ZINC02884198

 MMsINC code: MMs02953466
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(OC)=O)c1ccc(OCC)cc1)c1ccc(F)c
c1
InChI:   InChI=1/C24H23FN2O6S/c1-3-33-21-12-10-20(11-13-21)27(34(30,31)22-14-6-18(25)7-15-22)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)=120.191 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: 0.0558244  Sterimol/B1: 2.24745  Sterimol/B2: 3.62789  Sterimol/B3: 4.43759
  Sterimol/B4: 13.8388  Sterimol/L: 19.0194 
 
 Surface and Volume Properties
  Accessible surface: 777.613  Positive charged surface: 466.942  Negative charged surface: 310.671  Volume: 430.875
  Hydrophobic surface: 624.853  Hydrophilic surface: 152.76
 
 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.