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


NCID-ZINC05497290

 MMsINC code: MMs02468289
Type: Neutral
Formula: C12H24N2O4
SMILES:   O=C(N(O)C)CCCCCCCCC(=O)N(O)C
InChI:   InChI=1/C12H24N2O4/c1-13(17)11(15)9-7-5-3-4-6-8-10-12(16)14(2)18/h17-18H,3-10H2,1-2H3

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)=52.4707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.77072  SlogP: 1.8024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134395  Sterimol/B1: 2.37519  Sterimol/B2: 2.51315  Sterimol/B3: 2.78762
  Sterimol/B4: 4.02213  Sterimol/L: 20.6404 
 
 Surface and Volume Properties
  Accessible surface: 570.728  Positive charged surface: 462.338  Negative charged surface: 108.39  Volume: 266.625
  Hydrophobic surface: 413.578  Hydrophilic surface: 157.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.