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


APOLLO-ZINC04289191

 MMsINC code: MMs00058673
Type: Neutral
Formula: C28H26F3NO4
SMILES:   FC(F)(F)c1ccc(Oc2ccc(OC(C(=O)N3CCC(CC3)C(=O)c3ccccc3)C)cc2)c
c1
InChI:   InChI=1/C28H26F3NO4/c1-19(27(34)32-17-15-21(16-18-32)26(33)20-5-3-2-4-6-20)35-23-11-13-25(14-12-23)36-24-9-7-22(8-10-24)28(29,30)31/h2-14,19,21H,15-18H2,1H3/t19-/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)=148.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 497.513 g/mol  logS: -7.07642  SlogP: 6.698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428495  Sterimol/B1: 2.12155  Sterimol/B2: 4.47804  Sterimol/B3: 5.46713
  Sterimol/B4: 8.04045  Sterimol/L: 20.5213 
 
 Surface and Volume Properties
  Accessible surface: 783.273  Positive charged surface: 409.674  Negative charged surface: 373.599  Volume: 448.5
  Hydrophobic surface: 601.804  Hydrophilic surface: 181.469
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.