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


PUBCHEM-ZINC04203741

 MMsINC code: MMs03099752
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C1CCNCC1C)C(C)(C)C
InChI:   InChI=1/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/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)=45.0554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.25791  SlogP: 1.5737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145512  Sterimol/B1: 2.33132  Sterimol/B2: 2.70728  Sterimol/B3: 4.41316
  Sterimol/B4: 5.52839  Sterimol/L: 11.9965 
 
 Surface and Volume Properties
  Accessible surface: 417.383  Positive charged surface: 325.202  Negative charged surface: 92.181  Volume: 213.125
  Hydrophobic surface: 313.936  Hydrophilic surface: 103.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03099753
PUBCHEM-ZINC04203741