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ENAMINE-ZINC03466536

 MMsINC code: MMs01459844
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C24H24N2O6S/c1-26(20-11-13-21(31-2)14-12-20)33(29,30)22-10-6-9-19(15-22)24(28)32-17-23(27)25-16-18-7-4-3-5-8-18/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)=102.132 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: 0.0406633  Sterimol/B1: 2.40312  Sterimol/B2: 3.39167  Sterimol/B3: 5.25786
  Sterimol/B4: 7.67248  Sterimol/L: 23.9563 
 
 Surface and Volume Properties
  Accessible surface: 782.552  Positive charged surface: 477.604  Negative charged surface: 304.947  Volume: 427.5
  Hydrophobic surface: 621.855  Hydrophilic surface: 160.697
 
 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.