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ENAMINE-ZINC03477727

 MMsINC code: MMs01464337
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1OC)c1ccc(cc1)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C24H24N2O6S/c1-26(21-10-6-7-11-22(21)31-2)33(29,30)20-14-12-19(13-15-20)24(28)32-17-23(27)25-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.49488  SlogP: 3.2599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0370556  Sterimol/B1: 2.08887  Sterimol/B2: 3.23245  Sterimol/B3: 5.7182
  Sterimol/B4: 6.6637  Sterimol/L: 23.581 
 
 Surface and Volume Properties
  Accessible surface: 746.42  Positive charged surface: 460.838  Negative charged surface: 285.582  Volume: 428.25
  Hydrophobic surface: 602.166  Hydrophilic surface: 144.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.