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


ALFAAESAR-ZINC01690088

 MMsINC code: MMs00021879
Type: Ionized
Formula: C10H17O4-
SMILES:   O(C(=O)CCCCCCCC(=O)[O-])C
InChI:   InChI=1/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)/p-1

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)=3.73825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.242 g/mol  logS: -1.96804  SlogP: 0.64  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0243288  Sterimol/B1: 2.38276  Sterimol/B2: 2.38859  Sterimol/B3: 2.74704
  Sterimol/B4: 3.39  Sterimol/L: 17.6123 
 
 Surface and Volume Properties
  Accessible surface: 462.215  Positive charged surface: 332.944  Negative charged surface: 129.271  Volume: 203.5
  Hydrophobic surface: 318.448  Hydrophilic surface: 143.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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:  
   
Parent related molecule:


MMs00021878
ALFAAESAR-ZINC01690088