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


PUBCHEM-ZINC02160106

 MMsINC code: MMs02877807
Type: Neutral
Formula: C11H22N2O
SMILES:   O=C(N)C1CCN(CC1)CCCCC
InChI:   InChI=1/C11H22N2O/c1-2-3-4-7-13-8-5-10(6-9-13)11(12)14/h10H,2-9H2,1H3,(H2,12,14)

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)=4.69155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.31 g/mol  logS: -1.63527  SlogP: 1.3739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481149  Sterimol/B1: 2.99363  Sterimol/B2: 3.04054  Sterimol/B3: 3.05357
  Sterimol/B4: 4.52956  Sterimol/L: 15.2953 
 
 Surface and Volume Properties
  Accessible surface: 453.924  Positive charged surface: 367.442  Negative charged surface: 86.4822  Volume: 217.25
  Hydrophobic surface: 329.426  Hydrophilic surface: 124.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02877808
PUBCHEM-ZINC02160106