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


ACROSORGANICS-ZINC00388546

 MMsINC code: MMs00007057
Type: Neutral
Formula: C7H6O4
SMILES:   Oc1cc(cc(O)c1)C(O)=O
InChI:   InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)

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)=21.4989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.121 g/mol  logS: -0.63038  SlogP: 0.796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140299  Sterimol/B1: 2.097  Sterimol/B2: 2.37142  Sterimol/B3: 2.57383
  Sterimol/B4: 5.64234  Sterimol/L: 9.85262 
 
 Surface and Volume Properties
  Accessible surface: 319.277  Positive charged surface: 182.191  Negative charged surface: 137.086  Volume: 130.625
  Hydrophobic surface: 118.635  Hydrophilic surface: 200.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00007058
ACROSORGANICS-ZINC00388546