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


NCID-ZINC01695037

 MMsINC code: MMs02326084
Type: Neutral
Formula: C7H18N2O2
SMILES:   OCCNCCCNCCO
InChI:   InChI=1/C7H18N2O2/c10-6-4-8-2-1-3-9-5-7-11/h8-11H,1-7H2

Download   format file 
Drug Similarity  |  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)=18.0308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.233 g/mol  logS: 1.07889  SlogP: -1.4597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419558  Sterimol/B1: 2.71698  Sterimol/B2: 2.81705  Sterimol/B3: 2.81825
  Sterimol/B4: 2.99867  Sterimol/L: 14.5551 
 
 Surface and Volume Properties
  Accessible surface: 420.804  Positive charged surface: 370.545  Negative charged surface: 50.2585  Volume: 175.25
  Hydrophobic surface: 282.173  Hydrophilic surface: 138.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02326085
NCID-ZINC01695037