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


PUBCHEM-ZINC05834509

 MMsINC code: MMs03407249
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(CC(CC)(COC(=O)N)C)C(=O)NCCC
InChI:   InChI=1/C11H22N2O4/c1-4-6-13-10(15)17-8-11(3,5-2)7-16-9(12)14/h4-8H2,1-3H3,(H2,12,14)(H,13,15)/t11-/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)=-9.53679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.84482  SlogP: 1.6342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609745  Sterimol/B1: 3.28997  Sterimol/B2: 3.39094  Sterimol/B3: 3.854
  Sterimol/B4: 4.63249  Sterimol/L: 17.7467 
 
 Surface and Volume Properties
  Accessible surface: 516.434  Positive charged surface: 379.073  Negative charged surface: 137.361  Volume: 245.125
  Hydrophobic surface: 285.359  Hydrophilic surface: 231.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.