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


CHEMDIV-ZINC06876389

 MMsINC code: MMs01051472
Type: Neutral
Formula: C19H23FN2O3
SMILES:   Fc1ccc(cc1)-c1onc(c1)COCC(=O)N(C)C1CCCCC1
InChI:   InChI=1/C19H23FN2O3/c1-22(17-5-3-2-4-6-17)19(23)13-24-12-16-11-18(25-21-16)14-7-9-15(20)10-8-14/h7-11,17H,2-6,12-13H2,1H3

Download   format file 
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)=80.7901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.402 g/mol  logS: -4.52823  SlogP: 4.0548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303824  Sterimol/B1: 2.66562  Sterimol/B2: 3.62325  Sterimol/B3: 3.62558
  Sterimol/B4: 7.27891  Sterimol/L: 19.0298 
 
 Surface and Volume Properties
  Accessible surface: 631.604  Positive charged surface: 411.991  Negative charged surface: 219.613  Volume: 335.125
  Hydrophobic surface: 564.844  Hydrophilic surface: 66.76
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.