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


NCID-ZINC01688036

 MMsINC code: MMs02320654
Type: Neutral
Formula: C11H21NO2
SMILES:   O=C(CCC(=O)N(C(C)C)C(C)C)C
InChI:   InChI=1/C11H21NO2/c1-8(2)12(9(3)4)11(14)7-6-10(5)13/h8-9H,6-7H2,1-5H3

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)=59.8656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.06851  SlogP: 2.001  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155923  Sterimol/B1: 2.5227  Sterimol/B2: 2.65766  Sterimol/B3: 4.61405
  Sterimol/B4: 5.62648  Sterimol/L: 12.9812 
 
 Surface and Volume Properties
  Accessible surface: 429.497  Positive charged surface: 283.759  Negative charged surface: 145.739  Volume: 219.375
  Hydrophobic surface: 296.866  Hydrophilic surface: 132.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.