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


PUBCHEM-ZINC00505432

 MMsINC code: MMs02694866
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(NC(C)C)CCC1CCCC1
InChI:   InChI=1/C11H21NO/c1-9(2)12-11(13)8-7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,12,13)

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)=13.5485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -3.10072  SlogP: 2.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075778  Sterimol/B1: 2.17101  Sterimol/B2: 3.20089  Sterimol/B3: 3.53736
  Sterimol/B4: 4.84595  Sterimol/L: 14.4516 
 
 Surface and Volume Properties
  Accessible surface: 442.152  Positive charged surface: 345.319  Negative charged surface: 96.8337  Volume: 210.375
  Hydrophobic surface: 359.039  Hydrophilic surface: 83.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.