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


ENAMINE-ZINC05792166

 MMsINC code: MMs01639150
Type: Neutral
Formula: C20H17F2N3O4
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)Nc2ccccc2C(=O)C)C1=O)C
InChI:   InChI=1/C20H17F2N3O4/c1-11(26)13-5-3-4-6-16(13)23-17(27)10-25-18(28)20(2,24-19(25)29)14-9-12(21)7-8-15(14)22/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)/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)=74.6835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.369 g/mol  logS: -5.02826  SlogP: 2.8846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129889  Sterimol/B1: 2.94509  Sterimol/B2: 3.58114  Sterimol/B3: 6.28451
  Sterimol/B4: 6.47044  Sterimol/L: 15.2961 
 
 Surface and Volume Properties
  Accessible surface: 620.858  Positive charged surface: 335.083  Negative charged surface: 285.775  Volume: 344.125
  Hydrophobic surface: 460.675  Hydrophilic surface: 160.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.