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


CHEMDIV-ZINC04760393

MMsINC code: MMs00948260

Type: Neutral
Formula: C25H29FN2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NC1CCCCC1
InChI:   InChI=1/C25H29FN2O4/c1-28-23(16-11-7-8-12-19(16)26)22(24(29)27-15-9-5-4-6-10-15)17-13-20(31-2)21(32-3)14-18(17)25(28)30/h7-8,11-15,22-23H,4-6,9-10H2,1-3H3,(H,27,29)/t22-,23-/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)=122.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.515 g/mol  logS: -5.2908  SlogP: 4.2978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17743  Sterimol/B1: 2.24785  Sterimol/B2: 2.25027  Sterimol/B3: 7.98019
  Sterimol/B4: 10.1796  Sterimol/L: 16.8715 
 
 Surface and Volume Properties
  Accessible surface: 678.862  Positive charged surface: 523.6  Negative charged surface: 155.262  Volume: 414
  Hydrophobic surface: 614.359  Hydrophilic surface: 64.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.