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


ASINEX-ZINC04487225

 MMsINC code: MMs00340838
Type: Neutral
Formula: C11H19NO6
SMILES:   O1CCN(CC1)C(CC(O)=O)C(OCCOC)=O
InChI:   InChI=1/C11H19NO6/c1-16-6-7-18-11(15)9(8-10(13)14)12-2-4-17-5-3-12/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/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)=82.7755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -0.20848  SlogP: -0.6485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118917  Sterimol/B1: 2.53025  Sterimol/B2: 4.59695  Sterimol/B3: 4.6037
  Sterimol/B4: 5.92376  Sterimol/L: 13.912 
 
 Surface and Volume Properties
  Accessible surface: 495.709  Positive charged surface: 410.257  Negative charged surface: 85.4517  Volume: 240.75
  Hydrophobic surface: 368.602  Hydrophilic surface: 127.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.