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


IBS-ZINC05499207

 MMsINC code: MMs01953770
Type: Neutral
Formula: C26H28FNO3
SMILES:   Fc1ccc(cc1)C(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C26H28FNO3/c1-18(2)31-24-12-4-19(5-13-24)17-28-26(29)16-25(20-6-10-22(27)11-7-20)21-8-14-23(30-3)15-9-21/h4-15,18,25H,16-17H2,1-3H3,(H,28,29)/t25-/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)=107.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.512 g/mol  logS: -5.93492  SlogP: 5.7263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805391  Sterimol/B1: 3.91164  Sterimol/B2: 5.5621  Sterimol/B3: 6.14717
  Sterimol/B4: 6.35993  Sterimol/L: 20.1099 
 
 Surface and Volume Properties
  Accessible surface: 752.901  Positive charged surface: 489.313  Negative charged surface: 263.587  Volume: 418.375
  Hydrophobic surface: 658.584  Hydrophilic surface: 94.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.