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


CHEMBRIDGE-ZINC04905960

 MMsINC code: MMs00810351
Type: Neutral
Formula: C26H27FN2O2
SMILES:   Fc1ccc(OC(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)C)cc1
InChI:   InChI=1/C26H27FN2O2/c1-20(31-24-14-12-23(27)13-15-24)26(30)29-18-16-28(17-19-29)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3/t20-/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)=144.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.512 g/mol  logS: -5.70656  SlogP: 4.6223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874028  Sterimol/B1: 2.17499  Sterimol/B2: 4.53151  Sterimol/B3: 6.12617
  Sterimol/B4: 6.74789  Sterimol/L: 18.6064 
 
 Surface and Volume Properties
  Accessible surface: 703.033  Positive charged surface: 417.607  Negative charged surface: 285.426  Volume: 412.5
  Hydrophobic surface: 645.915  Hydrophilic surface: 57.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00810352
CHEMBRIDGE-ZINC04905960