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


ENAMINE-ZINC03466375

 MMsINC code: MMs01459766
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(OC(C(=O)Nc1ccccc1C)C)
=O
InChI:   InChI=1/C25H26N2O6S/c1-17-8-5-6-11-23(17)26-24(28)18(2)33-25(29)19-9-7-10-22(16-19)34(30,31)27(3)20-12-14-21(32-4)15-13-20/h5-16,18H,1-4H3,(H,26,28)/t18-/m0/s1

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)=125.739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -6.03852  SlogP: 4.01272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416059  Sterimol/B1: 3.44225  Sterimol/B2: 3.63724  Sterimol/B3: 5.85008
  Sterimol/B4: 6.24974  Sterimol/L: 23.3675 
 
 Surface and Volume Properties
  Accessible surface: 778.745  Positive charged surface: 477.454  Negative charged surface: 301.29  Volume: 444.25
  Hydrophobic surface: 638.203  Hydrophilic surface: 140.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.