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ENAMINE-ZINC03215910

 MMsINC code: MMs01309955
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c(cc1)C
InChI:   InChI=1/C24H25N3O4S/c1-18-7-12-22(32(29,30)27-13-15-31-16-14-27)17-23(18)24(28)26-21-10-8-20(9-11-21)25-19-5-3-2-4-6-19/h2-12,17,25H,13-16H2,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -5.65415  SlogP: 4.01182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273127  Sterimol/B1: 2.09148  Sterimol/B2: 2.29272  Sterimol/B3: 4.72152
  Sterimol/B4: 10.396  Sterimol/L: 20.374 
 
 Surface and Volume Properties
  Accessible surface: 731.119  Positive charged surface: 455.559  Negative charged surface: 275.559  Volume: 416.375
  Hydrophobic surface: 620.374  Hydrophilic surface: 110.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.