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ENAMINE-ZINC03325057

 MMsINC code: MMs01372579
Type: Neutral
Formula: C24H21F3N2O4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)CC(=O)Nc1cc(ccc1)C(F)(F)F)c1ccc(cc1)C(
=O)C
InChI:   InChI=1/C24H21F3N2O4S/c1-17(30)19-10-12-22(13-11-19)34(32,33)29(15-18-6-3-2-4-7-18)16-23(31)28-21-9-5-8-20(14-21)24(25,26)27/h2-14H,15-16H2,1H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.502 g/mol  logS: -6.43159  SlogP: 5.3155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999806  Sterimol/B1: 2.20832  Sterimol/B2: 3.43565  Sterimol/B3: 5.50902
  Sterimol/B4: 12.0946  Sterimol/L: 17.4852 
 
 Surface and Volume Properties
  Accessible surface: 716.782  Positive charged surface: 339.683  Negative charged surface: 377.099  Volume: 420.75
  Hydrophobic surface: 496.222  Hydrophilic surface: 220.56
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.