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


PUBCHEM-ZINC06481644

 MMsINC code: MMs03758018
Type: Neutral
Formula: C13H25NO3
SMILES:   OC(=O)CCCCCCCCCCC(=O)NC
InChI:   InChI=1/C13H25NO3/c1-14-12(15)10-8-6-4-2-3-5-7-9-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)

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)=-5.01176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.347 g/mol  logS: -3.01765  SlogP: 2.718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148286  Sterimol/B1: 2.37502  Sterimol/B2: 2.37573  Sterimol/B3: 2.74946
  Sterimol/B4: 3.59192  Sterimol/L: 21.7916 
 
 Surface and Volume Properties
  Accessible surface: 559.176  Positive charged surface: 453.265  Negative charged surface: 105.911  Volume: 263.75
  Hydrophobic surface: 404.643  Hydrophilic surface: 154.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03758019
PUBCHEM-ZINC06481644