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


NCID-ZINC01685352

 MMsINC code: MMs02318537
Type: Neutral
Formula: C11H23NO
SMILES:   OCCC1NC(CC1C(C)C)(C)C
InChI:   InChI=1/C11H23NO/c1-8(2)9-7-11(3,4)12-10(9)5-6-13/h8-10,12-13H,5-7H2,1-4H3/t9-,10+/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)=65.1817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.79572  SlogP: 1.7815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309422  Sterimol/B1: 2.36637  Sterimol/B2: 3.59504  Sterimol/B3: 4.87611
  Sterimol/B4: 6.1613  Sterimol/L: 10.4726 
 
 Surface and Volume Properties
  Accessible surface: 411.824  Positive charged surface: 312.306  Negative charged surface: 99.5185  Volume: 210.875
  Hydrophobic surface: 273.202  Hydrophilic surface: 138.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02318538
NCID-ZINC01685352