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


ACROSORGANICS-ZINC00897142

 MMsINC code: MMs00008222
Type: Neutral
Formula: C7H8O
SMILES:   Oc1ccc(cc1)C
InChI:   InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

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)=20.6462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.14 g/mol  logS: -1.49685  SlogP: 1.70062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324786  Sterimol/B1: 2.02409  Sterimol/B2: 2.49317  Sterimol/B3: 3.62125
  Sterimol/B4: 3.62201  Sterimol/L: 9.37394 
 
 Surface and Volume Properties
  Accessible surface: 291.334  Positive charged surface: 171.426  Negative charged surface: 119.908  Volume: 116
  Hydrophobic surface: 240.064  Hydrophilic surface: 51.27
 
 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.