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


PUBCHEM-ZINC03688069

 MMsINC code: MMs03042490
Type: Neutral
Formula: C23H27F3N2O2
SMILES:   FC(F)(F)c1cc2c([nH]c(-c3cc(OCC)c(OCC)cc3)c2CCCCN)cc1
InChI:   InChI=1/C23H27F3N2O2/c1-3-29-20-11-8-15(13-21(20)30-4-2)22-17(7-5-6-12-27)18-14-16(23(24,25)26)9-10-19(18)28-22/h8-11,13-14,28H,3-7,12,27H2,1-2H3

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)=87.8386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.475 g/mol  logS: -6.01162  SlogP: 6.24397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160329  Sterimol/B1: 2.59439  Sterimol/B2: 6.27878  Sterimol/B3: 6.61296
  Sterimol/B4: 6.93886  Sterimol/L: 17.7211 
 
 Surface and Volume Properties
  Accessible surface: 737.798  Positive charged surface: 462.327  Negative charged surface: 270.235  Volume: 397.125
  Hydrophobic surface: 487.834  Hydrophilic surface: 249.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03042491
PUBCHEM-ZINC03688069