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


NCID-ZINC01673527

 MMsINC code: MMs02309387
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(=O)C(N)CCCC(N)C(OCC)=O)CC
InChI:   InChI=1/C11H22N2O4/c1-3-16-10(14)8(12)6-5-7-9(13)11(15)17-4-2/h8-9H,3-7,12-13H2,1-2H3/t8-,9+

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)=52.6776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.04933  SlogP: -0.0625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038442  Sterimol/B1: 2.13389  Sterimol/B2: 2.74502  Sterimol/B3: 3.15193
  Sterimol/B4: 7.28943  Sterimol/L: 15.8698 
 
 Surface and Volume Properties
  Accessible surface: 529.953  Positive charged surface: 391.566  Negative charged surface: 138.387  Volume: 246.25
  Hydrophobic surface: 314.311  Hydrophilic surface: 215.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.