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ENAMINE-ZINC03620840

 MMsINC code: MMs01526106
Type: Neutral
Formula: C26H28N2O6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1C)C(OCC(=O)NCc1ccccc1OC)=O
InChI:   InChI=1/C26H28N2O6S/c1-4-28(22-11-6-5-7-12-22)35(31,32)24-16-20(15-14-19(24)2)26(30)34-18-25(29)27-17-21-10-8-9-13-23(21)33-3/h5-16H,4,17-18H2,1-3H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.584 g/mol  logS: -5.98256  SlogP: 3.95842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821014  Sterimol/B1: 2.55664  Sterimol/B2: 6.24818  Sterimol/B3: 6.31804
  Sterimol/B4: 7.64016  Sterimol/L: 19.5769 
 
 Surface and Volume Properties
  Accessible surface: 792.268  Positive charged surface: 499.13  Negative charged surface: 293.137  Volume: 461
  Hydrophobic surface: 643.523  Hydrophilic surface: 148.745
 
 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.