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


PUBCHEM-ZINC02567664

 MMsINC code: MMs02902216
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/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)=42.0787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.96048  SlogP: 1.7087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105614  Sterimol/B1: 2.53236  Sterimol/B2: 2.54012  Sterimol/B3: 4.44016
  Sterimol/B4: 5.95702  Sterimol/L: 14.1699 
 
 Surface and Volume Properties
  Accessible surface: 474.88  Positive charged surface: 343.882  Negative charged surface: 130.998  Volume: 236.875
  Hydrophobic surface: 320.627  Hydrophilic surface: 154.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.