logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ENAMINE-ZINC03465161

 MMsINC code: MMs01459225
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OCC(=O)NCc1ccccc1OC)=O
InChI:   InChI=1/C25H26N2O6S/c1-18-11-13-21(14-12-18)27(2)34(30,31)22-9-6-8-19(15-22)25(29)33-17-24(28)26-16-20-7-4-5-10-23(20)32-3/h4-15H,16-17H2,1-3H3,(H,26,28)

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=102.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -5.9688  SlogP: 3.56832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475784  Sterimol/B1: 1.98529  Sterimol/B2: 3.49575  Sterimol/B3: 4.88847
  Sterimol/B4: 11.0195  Sterimol/L: 20.7043 
 
 Surface and Volume Properties
  Accessible surface: 806.547  Positive charged surface: 511.724  Negative charged surface: 294.823  Volume: 444.375
  Hydrophobic surface: 663.902  Hydrophilic surface: 142.645
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.