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


CHEMDIV-ZINC02929758

MMsINC code: MMs00893486

Type: Neutral
Formula: C21H25FN2O2
SMILES:   Fc1ccc(cc1)-c1n(CC(=O)N2CC(CCC2)C)c(C)c(c1)C(=O)C
InChI:   InChI=1/C21H25FN2O2/c1-14-5-4-10-23(12-14)21(26)13-24-15(2)19(16(3)25)11-20(24)17-6-8-18(22)9-7-17/h6-9,11,14H,4-5,10,12-13H2,1-3H3/t14-/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)=82.9917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.441 g/mol  logS: -4.06043  SlogP: 4.33012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10094  Sterimol/B1: 2.78262  Sterimol/B2: 3.25373  Sterimol/B3: 5.05098
  Sterimol/B4: 10.4213  Sterimol/L: 15.3555 
 
 Surface and Volume Properties
  Accessible surface: 608.591  Positive charged surface: 370.267  Negative charged surface: 238.324  Volume: 350.875
  Hydrophobic surface: 531.329  Hydrophilic surface: 77.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.