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


ACDBLOCKS-ZINC03750721

 MMsINC code: MMs00001789
Type: Neutral
Formula: C10H10O4
SMILES:   O1CCOc2c1cc(cc2)CC(O)=O
InChI:   InChI=1/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)

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)=44.4293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.186 g/mol  logS: -1.66535  SlogP: 1.08487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710156  Sterimol/B1: 2.76768  Sterimol/B2: 2.93057  Sterimol/B3: 3.34446
  Sterimol/B4: 4.96823  Sterimol/L: 12.5941 
 
 Surface and Volume Properties
  Accessible surface: 379.965  Positive charged surface: 267.23  Negative charged surface: 112.735  Volume: 173.875
  Hydrophobic surface: 264.499  Hydrophilic surface: 115.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00001790
ACDBLOCKS-ZINC03750721