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


NCID-ZINC01561464

 MMsINC code: MMs02223615
Type: Neutral
Formula: C10H24N2O
SMILES:   O(CCCCCN)CCCCCN
InChI:   InChI=1/C10H24N2O/c11-7-3-1-5-9-13-10-6-2-4-8-12/h1-12H2

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)=0.119001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.315 g/mol  logS: -0.32652  SlogP: 1.261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198534  Sterimol/B1: 2.21225  Sterimol/B2: 2.40892  Sterimol/B3: 2.51108
  Sterimol/B4: 3.04637  Sterimol/L: 19.0467 
 
 Surface and Volume Properties
  Accessible surface: 497.222  Positive charged surface: 436.378  Negative charged surface: 60.844  Volume: 222.625
  Hydrophobic surface: 356.567  Hydrophilic surface: 140.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02223616
NCID-ZINC01561464