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PUBCHEM-ZINC06520199

 MMsINC code: MMs03778708
Type: Neutral
Formula: C19H24N2O6S
SMILES:   S(C=1N(COCCOC(OC(C)(C)C)=O)C(=O)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C19H24N2O6S/c1-13-15(22)20-17(23)21(16(13)28-14-8-6-5-7-9-14)12-25-10-11-26-18(24)27-19(2,3)4/h5-9H,10-12H2,1-4H3,(H,20,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.475 g/mol  logS: -4.80927  SlogP: 3.4878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809634  Sterimol/B1: 2.34346  Sterimol/B2: 3.4835  Sterimol/B3: 6.34817
  Sterimol/B4: 7.58197  Sterimol/L: 18.1087 
 
 Surface and Volume Properties
  Accessible surface: 675.246  Positive charged surface: 417.439  Negative charged surface: 257.806  Volume: 373.375
  Hydrophobic surface: 447.975  Hydrophilic surface: 227.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.