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ENAMINE-ZINC03478753

 MMsINC code: MMs01464927
Type: Neutral
Formula: C24H24N2O5S
SMILES:   S(=O)(=O)(NCC(OCC(=O)NC(c1ccccc1)c1ccccc1)=O)c1ccc(cc1)C
InChI:   InChI=1/C24H24N2O5S/c1-18-12-14-21(15-13-18)32(29,30)25-16-23(28)31-17-22(27)26-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24-25H,16-17H2,1H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.531 g/mol  logS: -5.81332  SlogP: 2.81782  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0515399  Sterimol/B1: 3.74259  Sterimol/B2: 3.75517  Sterimol/B3: 4.66135
  Sterimol/B4: 7.95037  Sterimol/L: 21.0804 
 
 Surface and Volume Properties
  Accessible surface: 766.721  Positive charged surface: 417.207  Negative charged surface: 349.514  Volume: 420.25
  Hydrophobic surface: 603.056  Hydrophilic surface: 163.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.