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


ACROSORGANICS-ZINC00013246

 MMsINC code: MMs00002763
Type: Neutral
Formula: C7H6O4
SMILES:   Oc1cc(ccc1O)C(O)=O
InChI:   InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

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)=31.519 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: 0.0119013  Sterimol/B1: 2.097  Sterimol/B2: 2.28074  Sterimol/B3: 2.82405
  Sterimol/B4: 4.874  Sterimol/L: 10.3824 
 
 Surface and Volume Properties
  Accessible surface: 314.839  Positive charged surface: 180.212  Negative charged surface: 134.627  Volume: 130.25
  Hydrophobic surface: 123.172  Hydrophilic surface: 191.667
 
 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


MMs00002764
ACROSORGANICS-ZINC00013246