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


PUBCHEM-ZINC01420816

 MMsINC code: MMs02804476
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)CCC(OC)=O
InChI:   InChI=1/C14H25NO4/c1-14(2,3)19-13(17)15-9-7-11(8-10-15)5-6-12(16)18-4/h11H,5-10H2,1-4H3

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)=29.0348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -1.83614  SlogP: 2.5867  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0588709  Sterimol/B1: 1.969  Sterimol/B2: 3.82061  Sterimol/B3: 4.84609
  Sterimol/B4: 5.35671  Sterimol/L: 17.3551 
 
 Surface and Volume Properties
  Accessible surface: 546.417  Positive charged surface: 431.545  Negative charged surface: 114.872  Volume: 275.5
  Hydrophobic surface: 432.9  Hydrophilic surface: 113.517
 
 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.