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


PUBCHEM-ZINC02379217

 MMsINC code: MMs02885819
Type: Neutral
Formula: C8H10O3
SMILES:   Oc1cc(ccc1O)CCO
InChI:   InChI=1/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

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)=36.4571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.165 g/mol  logS: -0.49347  SlogP: 0.63257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705023  Sterimol/B1: 2.60897  Sterimol/B2: 2.63159  Sterimol/B3: 2.85452
  Sterimol/B4: 5.13723  Sterimol/L: 11.4902 
 
 Surface and Volume Properties
  Accessible surface: 344.765  Positive charged surface: 231.688  Negative charged surface: 113.077  Volume: 146.5
  Hydrophobic surface: 193.805  Hydrophilic surface: 150.96
 
 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.