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


NCID-ZINC01634196

 MMsINC code: MMs02278265
Type: Neutral
Formula: C7H17NO
SMILES:   OC(CCC)CN(C)C
InChI:   InChI=1/C7H17NO/c1-4-5-7(9)6-8(2)3/h7,9H,4-6H2,1-3H3/t7-/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)=24.7621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.219 g/mol  logS: -0.33009  SlogP: 0.709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984306  Sterimol/B1: 2.57084  Sterimol/B2: 3.25593  Sterimol/B3: 3.56679
  Sterimol/B4: 3.88356  Sterimol/L: 12.0927 
 
 Surface and Volume Properties
  Accessible surface: 356.07  Positive charged surface: 305.997  Negative charged surface: 50.0732  Volume: 156.375
  Hydrophobic surface: 292.546  Hydrophilic surface: 63.524
 
 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


MMs02278266
NCID-ZINC01634196