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


ASINEX-ZINC04848207

 MMsINC code: MMs00378597
Type: Neutral
Formula: C21H25FN4O3
SMILES:   Fc1ccc(cc1)CN(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC(C)C
InChI:   InChI=1/C21H25FN4O3/c1-15(2)24-20(28)14-26(13-16-6-8-17(22)9-7-16)21(29)11-10-19(27)25-18-5-3-4-12-23-18/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,24,28)(H,23,25,27)

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)=61.4787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.454 g/mol  logS: -3.36038  SlogP: 2.7592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753596  Sterimol/B1: 2.44257  Sterimol/B2: 3.24684  Sterimol/B3: 4.2575
  Sterimol/B4: 12.4824  Sterimol/L: 17.2588 
 
 Surface and Volume Properties
  Accessible surface: 714.48  Positive charged surface: 460.342  Negative charged surface: 254.138  Volume: 384.875
  Hydrophobic surface: 555.747  Hydrophilic surface: 158.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.