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


ENAMINE-ZINC03492118

 MMsINC code: MMs01471954
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1C)C(OCC(=O)Nc1ccccc1OC)=O
InChI:   InChI=1/C25H26N2O6S/c1-4-27(20-10-6-5-7-11-20)34(30,31)23-16-19(15-14-18(23)2)25(29)33-17-24(28)26-21-12-8-9-13-22(21)32-3/h5-16H,4,17H2,1-3H3,(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)=143.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -6.03852  SlogP: 4.01432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600296  Sterimol/B1: 2.55333  Sterimol/B2: 6.12067  Sterimol/B3: 6.23771
  Sterimol/B4: 7.05466  Sterimol/L: 18.5772 
 
 Surface and Volume Properties
  Accessible surface: 759.339  Positive charged surface: 474.587  Negative charged surface: 284.751  Volume: 439.875
  Hydrophobic surface: 616.456  Hydrophilic surface: 142.883
 
 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.