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


PUBCHEM-ZINC00237802

 MMsINC code: MMs02643730
Type: Neutral
Formula: C18H21FN2O2
SMILES:   Fc1ccccc1N1CCN(CC1)Cc1cc(O)c(OC)cc1
InChI:   InChI=1/C18H21FN2O2/c1-23-18-7-6-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-2-4-15(16)19/h2-7,12,22H,8-11,13H2,1H3

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)=156.011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.376 g/mol  logS: -3.11033  SlogP: 3.1285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100162  Sterimol/B1: 2.53366  Sterimol/B2: 3.47956  Sterimol/B3: 4.78127
  Sterimol/B4: 6.25656  Sterimol/L: 17.1616 
 
 Surface and Volume Properties
  Accessible surface: 571.314  Positive charged surface: 409.545  Negative charged surface: 161.769  Volume: 306.375
  Hydrophobic surface: 495.439  Hydrophilic surface: 75.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02643731
PUBCHEM-ZINC00237802