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


ASINEX-ZINC01346953

 MMsINC code: MMs00242106
Type: Neutral
Formula: C19H19ClFN3O2
SMILES:   Clc1ccc(cc1)CNC(=O)C1N(CCC1)C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C19H19ClFN3O2/c20-14-5-3-13(4-6-14)12-22-18(25)17-2-1-11-24(17)19(26)23-16-9-7-15(21)8-10-16/h3-10,17H,1-2,11-12H2,(H,22,25)(H,23,26)/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)=59.4381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.831 g/mol  logS: -4.84432  SlogP: 4.0582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524176  Sterimol/B1: 3.01438  Sterimol/B2: 3.31586  Sterimol/B3: 3.73445
  Sterimol/B4: 8.37311  Sterimol/L: 18.6795 
 
 Surface and Volume Properties
  Accessible surface: 639.269  Positive charged surface: 354.459  Negative charged surface: 284.81  Volume: 338.5
  Hydrophobic surface: 574.561  Hydrophilic surface: 64.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.