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


PUBCHEM-ZINC05178506

 MMsINC code: MMs03220904
Type: Neutral
Formula: C11H26N2O
SMILES:   OC(CCCCCN)CCCCCN
InChI:   InChI=1/C11H26N2O/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h11,14H,1-10,12-13H2

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)=0.915518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.342 g/mol  logS: -0.38488  SlogP: 1.3855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291478  Sterimol/B1: 2.15538  Sterimol/B2: 2.50556  Sterimol/B3: 3.45917
  Sterimol/B4: 3.46051  Sterimol/L: 19.165 
 
 Surface and Volume Properties
  Accessible surface: 509.132  Positive charged surface: 436.296  Negative charged surface: 72.8359  Volume: 237.75
  Hydrophobic surface: 340.435  Hydrophilic surface: 168.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03220905
PUBCHEM-ZINC05178506