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


PUBCHEM-ZINC01841361

 MMsINC code: MMs02821719
Type: Neutral
Formula: C9H12O
SMILES:   Oc1ccc(cc1C)CC
InChI:   InChI=1/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3

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)=24.6668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.194 g/mol  logS: -2.17254  SlogP: 2.26299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800915  Sterimol/B1: 2.10166  Sterimol/B2: 3.41215  Sterimol/B3: 3.50232
  Sterimol/B4: 4.82139  Sterimol/L: 10.4478 
 
 Surface and Volume Properties
  Accessible surface: 343.732  Positive charged surface: 224.65  Negative charged surface: 119.082  Volume: 151.375
  Hydrophobic surface: 275.991  Hydrophilic surface: 67.741
 
 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.