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ENAMINE-ZINC03473629

 MMsINC code: MMs01462343
Type: Neutral
Formula: C24H23FN2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(F)cc1
InChI:   InChI=1/C24H23FN2O4S/c25-22-11-10-20(32(29,30)27-12-14-31-15-13-27)17-21(22)24(28)26-23-9-5-4-8-19(23)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,26,28)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.522 g/mol  logS: -5.65782  SlogP: 3.68967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208191  Sterimol/B1: 2.27233  Sterimol/B2: 2.45215  Sterimol/B3: 7.50974
  Sterimol/B4: 7.9738  Sterimol/L: 16.5173 
 
 Surface and Volume Properties
  Accessible surface: 684.816  Positive charged surface: 407.915  Negative charged surface: 276.901  Volume: 409.75
  Hydrophobic surface: 600.751  Hydrophilic surface: 84.065
 
 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.