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


PUBCHEM-ZINC02037742

 MMsINC code: MMs02862152
Type: Neutral
Formula: C8H19NO
SMILES:   OCCCCNCCCC
InChI:   InChI=1/C8H19NO/c1-2-3-6-9-7-4-5-8-10/h9-10H,2-8H2,1H3

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)=-3.81706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.246 g/mol  logS: -0.60268  SlogP: 1.1486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336467  Sterimol/B1: 2.20207  Sterimol/B2: 2.42808  Sterimol/B3: 2.51515
  Sterimol/B4: 3.11762  Sterimol/L: 15.585 
 
 Surface and Volume Properties
  Accessible surface: 409.456  Positive charged surface: 342.545  Negative charged surface: 66.9111  Volume: 176.125
  Hydrophobic surface: 313.365  Hydrophilic surface: 96.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02862153
PUBCHEM-ZINC02037742