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


ENAMINE-ZINC03384079

 MMsINC code: MMs01409042
Type: Neutral
Formula: C23H27FN2O
SMILES:   Fc1ccc(cc1)\C=C\C(=O)Nc1ccccc1CN(C)C1CCCCC1
InChI:   InChI=1/C23H27FN2O/c1-26(21-8-3-2-4-9-21)17-19-7-5-6-10-22(19)25-23(27)16-13-18-11-14-20(24)15-12-18/h5-7,10-16,21H,2-4,8-9,17H2,1H3,(H,25,27)/b16-13+

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)=87.7939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.48 g/mol  logS: -5.49826  SlogP: 5.5085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499496  Sterimol/B1: 2.51389  Sterimol/B2: 4.15883  Sterimol/B3: 6.96969
  Sterimol/B4: 7.06159  Sterimol/L: 15.8916 
 
 Surface and Volume Properties
  Accessible surface: 647.002  Positive charged surface: 406.073  Negative charged surface: 240.929  Volume: 372.25
  Hydrophobic surface: 610.825  Hydrophilic surface: 36.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs01409045
ENAMINE-ZINC03384079


MMs01409044
ENAMINE-ZINC03384079


MMs01409043
ENAMINE-ZINC03384079