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


NCID-ZINC01700426

 MMsINC code: MMs02330187
Type: Neutral
Formula: C16H30N2O4
SMILES:   O(C(=O)CN1CC(N(CC1(C)C)CC(OCC)=O)(C)C)CC
InChI:   InChI=1/C16H30N2O4/c1-7-21-13(19)9-17-11-16(5,6)18(12-15(17,3)4)10-14(20)22-8-2/h7-12H2,1-6H3

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)=134.555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.426 g/mol  logS: -2.31476  SlogP: 1.2874  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0606217  Sterimol/B1: 3.33694  Sterimol/B2: 3.64321  Sterimol/B3: 4.82233
  Sterimol/B4: 4.8517  Sterimol/L: 19.3481 
 
 Surface and Volume Properties
  Accessible surface: 590.954  Positive charged surface: 442.914  Negative charged surface: 148.04  Volume: 323.25
  Hydrophobic surface: 421.562  Hydrophilic surface: 169.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02330188
NCID-ZINC01700426