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


PUBCHEM-ZINC03638739

 MMsINC code: MMs03030539
Type: Neutral
Formula: C22H24F3NO
SMILES:   FC(F)(F)c1cc(ccc1)C(OC1CC2N(C(C1)CC2)C)c1ccccc1
InChI:   InChI=1/C22H24F3NO/c1-26-18-10-11-19(26)14-20(13-18)27-21(15-6-3-2-4-7-15)16-8-5-9-17(12-16)22(23,24)25/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20-,21-/m0/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)=97.4742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.434 g/mol  logS: -5.32818  SlogP: 5.8436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155813  Sterimol/B1: 3.7431  Sterimol/B2: 3.98609  Sterimol/B3: 4.25109
  Sterimol/B4: 7.34549  Sterimol/L: 15.7305 
 
 Surface and Volume Properties
  Accessible surface: 609.557  Positive charged surface: 360.43  Negative charged surface: 249.127  Volume: 356
  Hydrophobic surface: 502.606  Hydrophilic surface: 106.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03030540
PUBCHEM-ZINC03638739