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


ENAMINE-ZINC06602622

 MMsINC code: MMs01683827
Type: Neutral
Formula: C18H26N2O6
SMILES:   O1CCN(CC1)C(=O)CC1(CCCC1)C(OCC(=O)N1CCCC1=O)=O
InChI:   InChI=1/C18H26N2O6/c21-14-4-3-7-20(14)16(23)13-26-17(24)18(5-1-2-6-18)12-15(22)19-8-10-25-11-9-19/h1-13H2

Download   format file 
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)=64.3146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.414 g/mol  logS: -2.13897  SlogP: 0.4879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109986  Sterimol/B1: 2.25619  Sterimol/B2: 3.30011  Sterimol/B3: 4.07497
  Sterimol/B4: 9.86945  Sterimol/L: 15.6019 
 
 Surface and Volume Properties
  Accessible surface: 627.304  Positive charged surface: 486.427  Negative charged surface: 140.877  Volume: 340.125
  Hydrophobic surface: 513.301  Hydrophilic surface: 114.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.