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


ENAMINE-ZINC06939363

 MMsINC code: MMs01714509
Type: Neutral
Formula: C24H26FNO2
SMILES:   Fc1ccc(cc1)CNCC(O)COC(c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C24H26FNO2/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19/h2-14,23-24,26-27H,15-17H2,1H3/t23-,24+/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)=95.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.475 g/mol  logS: -5.37018  SlogP: 4.75272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675457  Sterimol/B1: 2.49543  Sterimol/B2: 3.34198  Sterimol/B3: 4.48545
  Sterimol/B4: 10.1183  Sterimol/L: 19.9011 
 
 Surface and Volume Properties
  Accessible surface: 717.278  Positive charged surface: 434.018  Negative charged surface: 283.26  Volume: 388
  Hydrophobic surface: 653.935  Hydrophilic surface: 63.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01714510
ENAMINE-ZINC06939363