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


PUBCHEM-ZINC02849620

 MMsINC code: MMs02937522
Type: Neutral
Formula: C26H26FNO6
SMILES:   Fc1ccc(cc1)CN1C(C(Oc2ccc(OC)cc2)C1=O)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C26H26FNO6/c1-30-19-9-11-20(12-10-19)34-25-23(17-13-21(31-2)24(33-4)22(14-17)32-3)28(26(25)29)15-16-5-7-18(27)8-6-16/h5-14,23,25H,15H2,1-4H3/t23-,25-/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)=147.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.493 g/mol  logS: -5.68298  SlogP: 4.7531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223361  Sterimol/B1: 4.18792  Sterimol/B2: 5.55919  Sterimol/B3: 5.58004
  Sterimol/B4: 10.3855  Sterimol/L: 17.7562 
 
 Surface and Volume Properties
  Accessible surface: 784.273  Positive charged surface: 536.175  Negative charged surface: 236.393  Volume: 438.875
  Hydrophobic surface: 712.914  Hydrophilic surface: 71.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.