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


ACROSORGANICS-ZINC00156176

 MMsINC code: MMs00005376
Type: Ionized
Formula: C11H9O4-
SMILES:   o1c2c(cc1C(=O)[O-])cccc2OCC
InChI:   InChI=1/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13)/p-1

Download   format file 
Drug Similarity  |  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)=45.9691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.189 g/mol  logS: -3.59057  SlogP: 1.195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169272  Sterimol/B1: 2.38337  Sterimol/B2: 2.38373  Sterimol/B3: 3.92752
  Sterimol/B4: 6.65317  Sterimol/L: 12.8665 
 
 Surface and Volume Properties
  Accessible surface: 412.078  Positive charged surface: 217.077  Negative charged surface: 189.408  Volume: 184.625
  Hydrophobic surface: 273.794  Hydrophilic surface: 138.284
 
 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:


MMs00005375
ACROSORGANICS-ZINC00156176