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


NCID-ZINC01667869

 MMsINC code: MMs02304006
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(=O)C(N1CC1)CC(OCCCC)=O)CCCC
InChI:   InChI=1/C14H25NO4/c1-3-5-9-18-13(16)11-12(15-7-8-15)14(17)19-10-6-4-2/h12H,3-11H2,1-2H3/t12-/m0/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)=42.3158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -2.42393  SlogP: 1.7473  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0301674  Sterimol/B1: 2.87586  Sterimol/B2: 3.10227  Sterimol/B3: 3.22986
  Sterimol/B4: 8.06945  Sterimol/L: 19.2568 
 
 Surface and Volume Properties
  Accessible surface: 589.978  Positive charged surface: 437.299  Negative charged surface: 152.68  Volume: 284.375
  Hydrophobic surface: 487.288  Hydrophilic surface: 102.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.