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


ENAMINE-ZINC05792260

 MMsINC code: MMs01639172
Type: Neutral
Formula: C19H23F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC2CCCCC2C)C1=O)C
InChI:   InChI=1/C19H23F2N3O3/c1-11-5-3-4-6-15(11)22-16(25)10-24-17(26)19(2,23-18(24)27)13-9-12(20)7-8-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,15-,19+/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)=37.0945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.407 g/mol  logS: -4.56504  SlogP: 2.7382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646247  Sterimol/B1: 2.20268  Sterimol/B2: 3.57678  Sterimol/B3: 4.3256
  Sterimol/B4: 6.67495  Sterimol/L: 18.1335 
 
 Surface and Volume Properties
  Accessible surface: 614.581  Positive charged surface: 379.802  Negative charged surface: 234.779  Volume: 341.25
  Hydrophobic surface: 462.749  Hydrophilic surface: 151.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.