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PUBCHEM-ZINC05283293

 MMsINC code: MMs03231670
Type: Neutral
Formula: C24H26F3NO2
SMILES:   FC(F)(F)C(OC)(C(=O)NC(\C=C\C=C(C)C)Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H26F3NO2/c1-18(2)11-10-16-21(17-19-12-6-4-7-13-19)28-22(29)23(30-3,24(25,26)27)20-14-8-5-9-15-20/h4-16,21H,17H2,1-3H3,(H,28,29)/b16-10+/t21-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.471 g/mol  logS: -6.87576  SlogP: 6.07187  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.222378  Sterimol/B1: 3.79308  Sterimol/B2: 4.84195  Sterimol/B3: 5.94665
  Sterimol/B4: 9.52382  Sterimol/L: 15.1437 
 
 Surface and Volume Properties
  Accessible surface: 667.147  Positive charged surface: 386.737  Negative charged surface: 280.411  Volume: 400.75
  Hydrophobic surface: 575.489  Hydrophilic surface: 91.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.