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


CHEMDIV-ZINC00217365

MMsINC code: MMs00842199

Type: Neutral
Formula: C20H25FN2O2
SMILES:   Fc1ccc(cc1)C1N(C2CCCC2)C(=O)CN(C1=O)C1CCCC1
InChI:   InChI=1/C20H25FN2O2/c21-15-11-9-14(10-12-15)19-20(25)22(16-5-1-2-6-16)13-18(24)23(19)17-7-3-4-8-17/h9-12,16-17,19H,1-8,13H2/t19-/m1/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)=138.884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.43 g/mol  logS: -3.84726  SlogP: 3.5183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150852  Sterimol/B1: 2.82666  Sterimol/B2: 4.44749  Sterimol/B3: 5.19633
  Sterimol/B4: 6.67622  Sterimol/L: 13.794 
 
 Surface and Volume Properties
  Accessible surface: 549.209  Positive charged surface: 349.584  Negative charged surface: 199.625  Volume: 331.125
  Hydrophobic surface: 484.617  Hydrophilic surface: 64.592
 
 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.