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


PUBCHEM-ZINC03725600

 MMsINC code: MMs03057916
Type: Neutral
Formula: C20H23F3N2O
SMILES:   FC(F)(F)c1ccc(cc1)C(N1CCNCC1)c1ccc(OCC)cc1
InChI:   InChI=1/C20H23F3N2O/c1-2-26-18-9-5-16(6-10-18)19(25-13-11-24-12-14-25)15-3-7-17(8-4-15)20(21,22)23/h3-10,19,24H,2,11-14H2,1H3/t19-/m1/s1

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)=112.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.411 g/mol  logS: -4.37415  SlogP: 4.5057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150102  Sterimol/B1: 3.14518  Sterimol/B2: 5.09817  Sterimol/B3: 5.64741
  Sterimol/B4: 7.39039  Sterimol/L: 15.1408 
 
 Surface and Volume Properties
  Accessible surface: 610.155  Positive charged surface: 384.103  Negative charged surface: 226.052  Volume: 339.25
  Hydrophobic surface: 445.125  Hydrophilic surface: 165.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03057917
PUBCHEM-ZINC03725600