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


CHEMBRIDGE-ZINC02181772

 MMsINC code: MMs00703655
Type: Neutral
Formula: C18H22FNO2
SMILES:   Fc1ccccc1CCNCc1cccc(OC)c1OCC
InChI:   InChI=1/C18H22FNO2/c1-3-22-18-15(8-6-10-17(18)21-2)13-20-12-11-14-7-4-5-9-16(14)19/h4-10,20H,3,11-13H2,1-2H3

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)=70.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.377 g/mol  logS: -3.6777  SlogP: 3.83167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544181  Sterimol/B1: 2.17398  Sterimol/B2: 2.72158  Sterimol/B3: 4.13521
  Sterimol/B4: 8.52304  Sterimol/L: 17.3459 
 
 Surface and Volume Properties
  Accessible surface: 588.375  Positive charged surface: 395.654  Negative charged surface: 192.721  Volume: 307.75
  Hydrophobic surface: 538.074  Hydrophilic surface: 50.301
 
 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


MMs00703656
CHEMBRIDGE-ZINC02181772