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


ACROSORGANICS-ZINC01085207

 MMsINC code: MMs00008654
Type: Neutral
Formula: C8H10O
SMILES:   Oc1cccc(C)c1C
InChI:   InChI=1/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,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)=32.0201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.167 g/mol  logS: -1.65732  SlogP: 2.00904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615412  Sterimol/B1: 2.06893  Sterimol/B2: 2.65655  Sterimol/B3: 3.46493
  Sterimol/B4: 4.92659  Sterimol/L: 8.78706 
 
 Surface and Volume Properties
  Accessible surface: 309.982  Positive charged surface: 185.358  Negative charged surface: 124.625  Volume: 132.75
  Hydrophobic surface: 265.805  Hydrophilic surface: 44.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.