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CHEMDIV-ZINC01058833

 MMsINC code: MMs00861937
Type: Neutral
Formula: C23H27N3O6S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)Cc1ccccc1
InChI:   InChI=1/C23H27N3O6S/c27-22(25-6-10-31-11-7-25)19-14-20(23(28)26-8-12-32-13-9-26)16-21(15-19)24-33(29,30)17-18-4-2-1-3-5-18/h1-5,14-16,24H,6-13,17H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.55 g/mol  logS: -3.654  SlogP: 1.8397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228224  Sterimol/B1: 2.55385  Sterimol/B2: 4.52574  Sterimol/B3: 6.20392
  Sterimol/B4: 8.76304  Sterimol/L: 15.7771 
 
 Surface and Volume Properties
  Accessible surface: 710.934  Positive charged surface: 479.26  Negative charged surface: 231.673  Volume: 421.75
  Hydrophobic surface: 543.019  Hydrophilic surface: 167.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.