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PEAKDALE-ZINC01495072

 MMsINC code: MMs02609110
Type: Neutral
Formula: C24H22N2O4S
SMILES:   S(=O)(=O)(C)c1cc2NC(=O)C(N(c2cc1)C(=O)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C24H22N2O4S/c1-31(29,30)19-12-13-21-20(16-19)25-24(28)22(14-17-8-4-2-5-9-17)26(21)23(27)15-18-10-6-3-7-11-18/h2-13,16,22H,14-15H2,1H3,(H,25,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.516 g/mol  logS: -5.63134  SlogP: 3.22914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183988  Sterimol/B1: 3.93755  Sterimol/B2: 4.53102  Sterimol/B3: 5.47215
  Sterimol/B4: 7.24718  Sterimol/L: 15.5719 
 
 Surface and Volume Properties
  Accessible surface: 650.52  Positive charged surface: 344.913  Negative charged surface: 305.607  Volume: 396.875
  Hydrophobic surface: 500.871  Hydrophilic surface: 149.649
 
 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.