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


MDPI-ZINC03851560

 MMsINC code: MMs02183370
Type: Neutral
Formula: C7H6O3
SMILES:   OC1=CC=CC=C(O)C1=O
InChI:   InChI=1/C7H6O3/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H2,8,9,10)

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)=68.686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.122 g/mol  logS: -0.93635  SlogP: 1.0091  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.5028e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09879  Sterimol/B3: 2.45984
  Sterimol/B4: 6.02032  Sterimol/L: 8.99668 
 
 Surface and Volume Properties
  Accessible surface: 294.206  Positive charged surface: 156.727  Negative charged surface: 137.479  Volume: 121.625
  Hydrophobic surface: 163.893  Hydrophilic surface: 130.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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:  
   

Ions/Tautomers related molecules: no related molecules available.