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


PUBCHEM-ZINC06385571

 MMsINC code: MMs03699801
Type: Neutral
Formula: C10H20NO4+
SMILES:   O(C(=O)C([N+](C)(C)C)C(OCC)=O)CC
InChI:   InChI=1/C10H20NO4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3/q+1

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)=91.4012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.273 g/mol  logS: -0.82881  SlogP: 0.1874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143481  Sterimol/B1: 2.35011  Sterimol/B2: 3.09062  Sterimol/B3: 3.6307
  Sterimol/B4: 8.37248  Sterimol/L: 10.6748 
 
 Surface and Volume Properties
  Accessible surface: 455.258  Positive charged surface: 379.952  Negative charged surface: 75.3057  Volume: 222.125
  Hydrophobic surface: 323.457  Hydrophilic surface: 131.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.