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


PUBCHEM-ZINC02037765

 MMsINC code: MMs02862170
Type: Neutral
Formula: C11H15NO
SMILES:   Oc1c2CCN(Cc2ccc1)CC
InChI:   InChI=1/C11H15NO/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13/h3-5,13H,2,6-8H2,1H3

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)=36.7202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.247 g/mol  logS: -1.40546  SlogP: 2.03657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.079095  Sterimol/B1: 2.53169  Sterimol/B2: 3.53891  Sterimol/B3: 3.85996
  Sterimol/B4: 4.81029  Sterimol/L: 12.0975 
 
 Surface and Volume Properties
  Accessible surface: 387.046  Positive charged surface: 280.669  Negative charged surface: 106.378  Volume: 188.875
  Hydrophobic surface: 316.912  Hydrophilic surface: 70.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02862171
PUBCHEM-ZINC02037765