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


ACROSORGANICS-ZINC00213065

 MMsINC code: MMs00006495
Type: Ionized
Formula: C8H7O3-
SMILES:   Oc1ccc(cc1)CC(=O)[O-]
InChI:   InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/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)=25.8878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.141 g/mol  logS: -1.31425  SlogP: -0.31543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817414  Sterimol/B1: 2.48033  Sterimol/B2: 2.54067  Sterimol/B3: 3.34919
  Sterimol/B4: 4.86015  Sterimol/L: 10.2722 
 
 Surface and Volume Properties
  Accessible surface: 323.194  Positive charged surface: 161.413  Negative charged surface: 161.781  Volume: 137.75
  Hydrophobic surface: 189.413  Hydrophilic surface: 133.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00006494
ACROSORGANICS-ZINC00213065