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


PUBCHEM-ZINC02378801

 MMsINC code: MMs02885784
Type: Ionized
Formula: C11H19O3-
SMILES:   O=C(CCCCC(=O)[O-])CCCCC
InChI:   InChI=1/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)/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)=4.51494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.27 g/mol  logS: -2.10035  SlogP: 1.4461  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0235974  Sterimol/B1: 2.37445  Sterimol/B2: 2.41606  Sterimol/B3: 3.10609
  Sterimol/B4: 3.68248  Sterimol/L: 17.9207 
 
 Surface and Volume Properties
  Accessible surface: 471.607  Positive charged surface: 327.687  Negative charged surface: 143.92  Volume: 216
  Hydrophobic surface: 319.1  Hydrophilic surface: 152.507
 
 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:


MMs02885783
PUBCHEM-ZINC02378801