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


PUBCHEM-ZINC06656172

 MMsINC code: MMs03835888
Type: Neutral
Formula: C24H34N2O5
SMILES:   O(CC(O)CN(Cc1ccccc1)CC(OCC)OCC)c1ccccc1NC(=O)C
InChI:   InChI=1/C24H34N2O5/c1-4-29-24(30-5-2)17-26(15-20-11-7-6-8-12-20)16-21(28)18-31-23-14-10-9-13-22(23)25-19(3)27/h6-14,21,24,28H,4-5,15-18H2,1-3H3,(H,25,27)/t21-/m1/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)=158.621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.545 g/mol  logS: -3.92839  SlogP: 3.5524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126649  Sterimol/B1: 3.25044  Sterimol/B2: 5.96307  Sterimol/B3: 6.6844
  Sterimol/B4: 7.75472  Sterimol/L: 17.9977 
 
 Surface and Volume Properties
  Accessible surface: 768.338  Positive charged surface: 521.513  Negative charged surface: 246.825  Volume: 435.75
  Hydrophobic surface: 622.894  Hydrophilic surface: 145.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs03835889
PUBCHEM-ZINC06656172