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


ENAMINE-ZINC02566355

 MMsINC code: MMs01251923
Type: Neutral
Formula: C6H15NO
SMILES:   OCCCNC(C)C
InChI:   InChI=1/C6H15NO/c1-6(2)7-4-3-5-8/h6-8H,3-5H2,1-2H3

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)=-0.823435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.192 g/mol  logS: -0.01113  SlogP: 0.3668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890101  Sterimol/B1: 2.19926  Sterimol/B2: 2.78122  Sterimol/B3: 3.073
  Sterimol/B4: 4.85062  Sterimol/L: 11.7326 
 
 Surface and Volume Properties
  Accessible surface: 338.471  Positive charged surface: 266.658  Negative charged surface: 71.8127  Volume: 138.25
  Hydrophobic surface: 227.515  Hydrophilic surface: 110.956
 
 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


MMs01251924
ENAMINE-ZINC02566355