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


ENAMINE-ZINC03433815

 MMsINC code: MMs01439200
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N1CCc2c(C1)cccc2)c1cc(ccc1)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C25H24N2O5S/c28-24(26-16-19-7-2-1-3-8-19)18-32-25(29)21-11-6-12-23(15-21)33(30,31)27-14-13-20-9-4-5-10-22(20)17-27/h1-12,15H,13-14,16-18H2,(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)=77.9716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -5.57241  SlogP: 3.43957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296178  Sterimol/B1: 2.97469  Sterimol/B2: 3.69125  Sterimol/B3: 4.57494
  Sterimol/B4: 7.30919  Sterimol/L: 24.3353 
 
 Surface and Volume Properties
  Accessible surface: 773.348  Positive charged surface: 440.418  Negative charged surface: 332.93  Volume: 425.125
  Hydrophobic surface: 623.784  Hydrophilic surface: 149.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.