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


CHEMDIV-ZINC04798891

 MMsINC code: MMs00957432
Type: Neutral
Formula: C23H27FN2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)NC(CC)C
InChI:   InChI=1/C23H27FN2O4/c1-6-13(2)25-22(27)20-15-11-18(29-4)19(30-5)12-16(15)23(28)26(3)21(20)14-9-7-8-10-17(14)24/h7-13,20-21H,6H2,1-5H3,(H,25,27)/t13-,20+,21+/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)=122.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.477 g/mol  logS: -4.67585  SlogP: 3.7636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252894  Sterimol/B1: 3.60999  Sterimol/B2: 4.02074  Sterimol/B3: 6.79588
  Sterimol/B4: 8.19493  Sterimol/L: 15.2488 
 
 Surface and Volume Properties
  Accessible surface: 645.001  Positive charged surface: 479.814  Negative charged surface: 165.187  Volume: 390.875
  Hydrophobic surface: 547.507  Hydrophilic surface: 97.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.