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


PUBCHEM-ZINC06224775

 MMsINC code: MMs03619804
Type: Neutral
Formula: C8H19NO
SMILES:   OC(CC)CN(CC)CC
InChI:   InChI=1/C8H19NO/c1-4-8(10)7-9(5-2)6-3/h8,10H,4-7H2,1-3H3/t8-/m1/s1

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)=24.7118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.246 g/mol  logS: -0.46929  SlogP: 1.0991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132891  Sterimol/B1: 3.171  Sterimol/B2: 3.24675  Sterimol/B3: 4.32703
  Sterimol/B4: 4.47327  Sterimol/L: 11.0139 
 
 Surface and Volume Properties
  Accessible surface: 379.07  Positive charged surface: 292.161  Negative charged surface: 86.9094  Volume: 173.25
  Hydrophobic surface: 278.036  Hydrophilic surface: 101.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03619805
PUBCHEM-ZINC06224775