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


NCID-ZINC05084710

 MMsINC code: MMs02438461
Type: Neutral
Formula: C11H23NO
SMILES:   OCCNC1CC(CC(C1)C)(C)C
InChI:   InChI=1/C11H23NO/c1-9-6-10(12-4-5-13)8-11(2,3)7-9/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m0/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)=38.9724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.17174  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145419  Sterimol/B1: 2.23526  Sterimol/B2: 3.14344  Sterimol/B3: 3.55191
  Sterimol/B4: 7.38177  Sterimol/L: 11.983 
 
 Surface and Volume Properties
  Accessible surface: 426.23  Positive charged surface: 337.906  Negative charged surface: 88.3242  Volume: 211.125
  Hydrophobic surface: 304.853  Hydrophilic surface: 121.377
 
 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


MMs02438462
NCID-ZINC05084710