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


PUBCHEM-ZINC04977258

 MMsINC code: MMs03187128
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)N(OC)C
InChI:   InChI=1/C12H24N2O4/c1-8(2)9(10(15)14(6)17-7)13-11(16)18-12(3,4)5/h8-9H,1-7H3,(H,13,16)/t9-/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)=62.8876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.87345  SlogP: 1.5555  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.140681  Sterimol/B1: 2.5684  Sterimol/B2: 4.11156  Sterimol/B3: 4.29867
  Sterimol/B4: 6.31957  Sterimol/L: 13.8964 
 
 Surface and Volume Properties
  Accessible surface: 504.13  Positive charged surface: 384.579  Negative charged surface: 119.551  Volume: 266
  Hydrophobic surface: 359.049  Hydrophilic surface: 145.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.