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


PUBCHEM-ZINC02510698

 MMsINC code: MMs02890991
Type: Neutral
Formula: C13H23NO4
SMILES:   O(C(=O)C1N(CCCC1)C(OC(C)(C)C)=O)CC
InChI:   InChI=1/C13H23NO4/c1-5-17-11(15)10-8-6-7-9-14(10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3/t10-/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)=62.3191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -2.2051  SlogP: 2.3391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145613  Sterimol/B1: 2.43892  Sterimol/B2: 2.82452  Sterimol/B3: 4.13357
  Sterimol/B4: 9.77023  Sterimol/L: 12.2139 
 
 Surface and Volume Properties
  Accessible surface: 509.3  Positive charged surface: 385.626  Negative charged surface: 123.674  Volume: 259.875
  Hydrophobic surface: 401.298  Hydrophilic surface: 108.002
 
 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: no related molecules available.