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


NCID-ZINC01677401

 MMsINC code: MMs02312392
Type: Neutral
Formula: C11H25N2O2+
SMILES:   O(C(=O)CCCN(C)C)CC[N+](C)(C)C
InChI:   InChI=1/C11H25N2O2/c1-12(2)8-6-7-11(14)15-10-9-13(3,4)5/h6-10H2,1-5H3/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)=59.6355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.333 g/mol  logS: 0.2522  SlogP: 0.5776  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0651005  Sterimol/B1: 2.38747  Sterimol/B2: 2.73671  Sterimol/B3: 4.46779
  Sterimol/B4: 4.49929  Sterimol/L: 15.9743 
 
 Surface and Volume Properties
  Accessible surface: 486.359  Positive charged surface: 455.101  Negative charged surface: 31.2586  Volume: 241.625
  Hydrophobic surface: 397.666  Hydrophilic surface: 88.693
 
 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


MMs02312393
NCID-ZINC01677401