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


PUBCHEM-ZINC02466328

 MMsINC code: MMs02888449
Type: Neutral
Formula: C11H19NO2
SMILES:   O(C(C#CCN(CC)CC)C)C(=O)C
InChI:   InChI=1/C11H19NO2/c1-5-12(6-2)9-7-8-10(3)14-11(4)13/h10H,5-6,9H2,1-4H3/t10-/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)=21.0243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -1.81383  SlogP: 1.28321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102653  Sterimol/B1: 2.07808  Sterimol/B2: 3.29097  Sterimol/B3: 5.58394
  Sterimol/B4: 5.61655  Sterimol/L: 13.9649 
 
 Surface and Volume Properties
  Accessible surface: 473.142  Positive charged surface: 324.49  Negative charged surface: 148.652  Volume: 220.625
  Hydrophobic surface: 332.541  Hydrophilic surface: 140.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02888450
PUBCHEM-ZINC02466328