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ENAMINE-ZINC03273690

 MMsINC code: MMs01344112
Type: Neutral
Formula: C26H22N2O5S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O
InChI:   InChI=1/C26H22N2O5S2/c29-23(27-25(19-10-3-1-4-11-19)20-12-5-2-6-13-20)18-33-26(30)21-14-7-8-15-22(21)28-35(31,32)24-16-9-17-34-24/h1-17,25,28H,18H2,(H,27,29)

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Potential Energy
Epot(MMFF94)=111.935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.603 g/mol  logS: -7.10183  SlogP: 4.707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130249  Sterimol/B1: 2.19985  Sterimol/B2: 3.23747  Sterimol/B3: 7.38765
  Sterimol/B4: 8.39195  Sterimol/L: 18.5959 
 
 Surface and Volume Properties
  Accessible surface: 778.091  Positive charged surface: 393.264  Negative charged surface: 384.828  Volume: 453.75
  Hydrophobic surface: 644.314  Hydrophilic surface: 133.777
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.