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


ENAMINE-ZINC03308024

 MMsINC code: MMs01362271
Type: Neutral
Formula: C20H19F2N3O3
SMILES:   Fc1ccc(cc1)C1(NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O)CC
InChI:   InChI=1/C20H19F2N3O3/c1-2-20(14-5-9-16(22)10-6-14)18(27)25(19(28)24-20)12-17(26)23-11-13-3-7-15(21)8-4-13/h3-10H,2,11-12H2,1H3,(H,23,26)(H,24,28)/t20-/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)=46.6019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.386 g/mol  logS: -4.8618  SlogP: 3.0162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769634  Sterimol/B1: 2.12897  Sterimol/B2: 3.48264  Sterimol/B3: 4.59798
  Sterimol/B4: 9.21051  Sterimol/L: 17.3473 
 
 Surface and Volume Properties
  Accessible surface: 628.415  Positive charged surface: 338.589  Negative charged surface: 289.826  Volume: 344.5
  Hydrophobic surface: 486.461  Hydrophilic surface: 141.954
 
 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.