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


PUBCHEM-ZINC03132928

 MMsINC code: MMs02999312
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(=O)C(N(C)C)(CCC(C)=C)C(OCC)=O)CC
InChI:   InChI=1/C14H25NO4/c1-7-18-12(16)14(15(5)6,10-9-11(3)4)13(17)19-8-2/h3,7-10H2,1-2,4-6H3

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)=81.7677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -2.49641  SlogP: 1.7693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195269  Sterimol/B1: 2.46528  Sterimol/B2: 3.94715  Sterimol/B3: 4.03765
  Sterimol/B4: 8.96519  Sterimol/L: 14.1741 
 
 Surface and Volume Properties
  Accessible surface: 535.167  Positive charged surface: 385.469  Negative charged surface: 149.697  Volume: 282.75
  Hydrophobic surface: 409.544  Hydrophilic surface: 125.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.