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


NCID-ZINC00401708

 MMsINC code: MMs02216464
Type: Neutral
Formula: C12H24N2O
SMILES:   O=C(N(C)C1CCCCC1)NC(C)(C)C
InChI:   InChI=1/C12H24N2O/c1-12(2,3)13-11(15)14(4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3,(H,13,15)

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)=12.4955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -1.95111  SlogP: 2.759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130638  Sterimol/B1: 2.19737  Sterimol/B2: 2.37514  Sterimol/B3: 4.87417
  Sterimol/B4: 5.03056  Sterimol/L: 13.8182 
 
 Surface and Volume Properties
  Accessible surface: 456.261  Positive charged surface: 354.928  Negative charged surface: 101.332  Volume: 239.75
  Hydrophobic surface: 383.936  Hydrophilic surface: 72.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.