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


ACROSORGANICS-ZINC00901022

 MMsINC code: MMs00008248
Type: Neutral
Formula: C7H8O
SMILES:   Oc1ccccc1C
InChI:   InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/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)=22.0189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 108.14 g/mol  logS: -1.1834  SlogP: 1.70062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040854  Sterimol/B1: 2.16215  Sterimol/B2: 2.50584  Sterimol/B3: 3.35472
  Sterimol/B4: 4.34452  Sterimol/L: 8.75535 
 
 Surface and Volume Properties
  Accessible surface: 287.043  Positive charged surface: 169.754  Negative charged surface: 117.289  Volume: 117.25
  Hydrophobic surface: 242.974  Hydrophilic surface: 44.069
 
 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.