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


ENAMINE-ZINC05791537

 MMsINC code: MMs01639010
Type: Neutral
Formula: C19H17F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NCc2ccccc2)C1=O)C
InChI:   InChI=1/C19H17F2N3O3/c1-19(14-9-13(20)7-8-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/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)=43.2147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.359 g/mol  logS: -4.66003  SlogP: 2.6261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621152  Sterimol/B1: 2.00609  Sterimol/B2: 4.43525  Sterimol/B3: 4.50385
  Sterimol/B4: 5.9186  Sterimol/L: 18.864 
 
 Surface and Volume Properties
  Accessible surface: 609.144  Positive charged surface: 329.998  Negative charged surface: 279.146  Volume: 329
  Hydrophobic surface: 461.613  Hydrophilic surface: 147.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.