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


PUBCHEM-ZINC05283900

 MMsINC code: MMs03232068
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(NCCNC(=O)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C12H24N2O2/c1-11(2,3)9(15)13-7-8-14-10(16)12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)

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)=32.2132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.16102  SlogP: 1.311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644839  Sterimol/B1: 2.5133  Sterimol/B2: 3.62409  Sterimol/B3: 3.6251
  Sterimol/B4: 4.76111  Sterimol/L: 15.7641 
 
 Surface and Volume Properties
  Accessible surface: 506.145  Positive charged surface: 353.013  Negative charged surface: 153.132  Volume: 250.25
  Hydrophobic surface: 338.709  Hydrophilic surface: 167.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.