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


PUBCHEM-ZINC05832496

 MMsINC code: MMs03406206
Type: Neutral
Formula: C19H24FN3O4
SMILES:   Fc1cc(N2CC(OC2=O)CNC(=O)CCC=C)ccc1N1CCOCC1
InChI:   InChI=1/C19H24FN3O4/c1-2-3-4-18(24)21-12-15-13-23(19(25)27-15)14-5-6-17(16(20)11-14)22-7-9-26-10-8-22/h2,5-6,11,15H,1,3-4,7-10,12-13H2,(H,21,24)/t15-/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)=132.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.416 g/mol  logS: -3.28005  SlogP: 2.0699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336024  Sterimol/B1: 2.4158  Sterimol/B2: 3.72908  Sterimol/B3: 3.99849
  Sterimol/B4: 5.99172  Sterimol/L: 22.1228 
 
 Surface and Volume Properties
  Accessible surface: 664.595  Positive charged surface: 464.432  Negative charged surface: 200.162  Volume: 353.125
  Hydrophobic surface: 487.037  Hydrophilic surface: 177.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.