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ENAMINE-ZINC03468246

 MMsINC code: MMs01460427
Type: Neutral
Formula: C24H22N2O6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(cc1)C(OCC(=O)NC(=O)c1ccccc1)=O
InChI:   InChI=1/C24H22N2O6S/c1-2-26(20-11-7-4-8-12-20)33(30,31)21-15-13-19(14-16-21)24(29)32-17-22(27)25-23(28)18-9-5-3-6-10-18/h3-16H,2,17H2,1H3,(H,25,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.514 g/mol  logS: -6.15902  SlogP: 3.0152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322248  Sterimol/B1: 2.4599  Sterimol/B2: 2.46126  Sterimol/B3: 5.54738
  Sterimol/B4: 6.8073  Sterimol/L: 23.7632 
 
 Surface and Volume Properties
  Accessible surface: 736.053  Positive charged surface: 391.011  Negative charged surface: 345.042  Volume: 418.375
  Hydrophobic surface: 544.772  Hydrophilic surface: 191.281
 
 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.