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


ASINEX-ZINC02226068

 MMsINC code: MMs00265799
Type: Neutral
Formula: C20H20FN3O4
SMILES:   Fc1ccc(cc1)C(=O)N1CCNC(=O)C1CC(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C20H20FN3O4/c1-28-16-4-2-3-15(11-16)23-18(25)12-17-19(26)22-9-10-24(17)20(27)13-5-7-14(21)8-6-13/h2-8,11,17H,9-10,12H2,1H3,(H,22,26)(H,23,25)/t17-/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)=150.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.395 g/mol  logS: -3.97014  SlogP: 1.8037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144229  Sterimol/B1: 2.51464  Sterimol/B2: 6.24646  Sterimol/B3: 6.49413
  Sterimol/B4: 6.62662  Sterimol/L: 15.2943 
 
 Surface and Volume Properties
  Accessible surface: 625.695  Positive charged surface: 407.574  Negative charged surface: 218.121  Volume: 342.375
  Hydrophobic surface: 510.994  Hydrophilic surface: 114.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.