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


ENAMINE-ZINC06544284

MMsINC code: MMs01670080

Type: Neutral
Formula: C20H18FN3O4
SMILES:   Fc1ccc(cc1)CCNC(=O)COC(=O)CN1C=Nc2c(cccc2)C1=O
InChI:   InChI=1/C20H18FN3O4/c21-15-7-5-14(6-8-15)9-10-22-18(25)12-28-19(26)11-24-13-23-17-4-2-1-3-16(17)20(24)27/h1-8,13H,9-12H2,(H,22,25)

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)=61.8989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.379 g/mol  logS: -4.68683  SlogP: 1.84337  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0237282  Sterimol/B1: 2.49194  Sterimol/B2: 2.90863  Sterimol/B3: 4.24656
  Sterimol/B4: 5.78767  Sterimol/L: 23.1308 
 
 Surface and Volume Properties
  Accessible surface: 675.986  Positive charged surface: 401.832  Negative charged surface: 274.154  Volume: 346.25
  Hydrophobic surface: 512.747  Hydrophilic surface: 163.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.