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PUBCHEM-ZINC01150120

 MMsINC code: MMs02779697
Type: Neutral
Formula: C24H24N2O4S2
SMILES:   S(C(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O4S2/c27-24(23(19-7-3-1-4-8-19)31-21-9-5-2-6-10-21)25-20-11-13-22(14-12-20)32(28,29)26-15-17-30-18-16-26/h1-14,23H,15-18H2,(H,25,27)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.598 g/mol  logS: -6.37565  SlogP: 4.2751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0837444  Sterimol/B1: 2.55979  Sterimol/B2: 3.71933  Sterimol/B3: 3.91263
  Sterimol/B4: 11.9356  Sterimol/L: 17.0434 
 
 Surface and Volume Properties
  Accessible surface: 740.389  Positive charged surface: 428.095  Negative charged surface: 312.295  Volume: 426.75
  Hydrophobic surface: 625.568  Hydrophilic surface: 114.821
 
 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.