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


ACROSORGANICS-ZINC00388167

 MMsINC code: MMs00006883
Type: Neutral
Formula: C8H10O2
SMILES:   O(C)c1cc(OC)ccc1
InChI:   InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3

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)=40.8432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.166 g/mol  logS: -1.48564  SlogP: 1.7038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221404  Sterimol/B1: 2.37407  Sterimol/B2: 2.37514  Sterimol/B3: 3.36127
  Sterimol/B4: 4.54026  Sterimol/L: 11.8513 
 
 Surface and Volume Properties
  Accessible surface: 336.329  Positive charged surface: 251.371  Negative charged surface: 84.9579  Volume: 144.375
  Hydrophobic surface: 315.555  Hydrophilic surface: 20.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.