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ENAMINE-ZINC03425984

 MMsINC code: MMs01434483
Type: Neutral
Formula: C24H26N2O4S
SMILES:   S(=O)(=O)(N(C(C)c1ccccc1)CC(=O)Nc1ccccc1)c1ccc(OCC)cc1
InChI:   InChI=1/C24H26N2O4S/c1-3-30-22-14-16-23(17-15-22)31(28,29)26(19(2)20-10-6-4-7-11-20)18-24(27)25-21-12-8-5-9-13-21/h4-17,19H,3,18H2,1-2H3,(H,25,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.548 g/mol  logS: -5.76757  SlogP: 4.5714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118234  Sterimol/B1: 2.65525  Sterimol/B2: 3.16935  Sterimol/B3: 5.88791
  Sterimol/B4: 8.35038  Sterimol/L: 20.0266 
 
 Surface and Volume Properties
  Accessible surface: 697.579  Positive charged surface: 410.891  Negative charged surface: 286.688  Volume: 413.875
  Hydrophobic surface: 572.861  Hydrophilic surface: 124.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.