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


NCID-ZINC04963281

 MMsINC code: MMs02419940
Type: Neutral
Formula: C13H24N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(O)C)C(OC)=O)C
InChI:   InChI=1/C13H24N2O6/c1-7(14-12(19)21-13(3,4)5)10(17)15-9(8(2)16)11(18)20-6/h7-9,16H,1-6H3,(H,14,19)(H,15,17)/t7-,8-,9-/m1/s1

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)=64.5315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.343 g/mol  logS: -1.85418  SlogP: -0.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429127  Sterimol/B1: 2.4221  Sterimol/B2: 3.10585  Sterimol/B3: 3.69541
  Sterimol/B4: 6.70472  Sterimol/L: 17.8573 
 
 Surface and Volume Properties
  Accessible surface: 572.307  Positive charged surface: 414.025  Negative charged surface: 158.281  Volume: 289.375
  Hydrophobic surface: 347.649  Hydrophilic surface: 224.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.