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


PUBCHEM-ZINC01037866

MMsINC code: MMs02760427

Type: Neutral
Formula: C19H19ClFN3O2
SMILES:   Clc1cccc(F)c1C(=O)NC(=O)Nc1ccccc1N1CCCCC1
InChI:   InChI=1/C19H19ClFN3O2/c20-13-7-6-8-14(21)17(13)18(25)23-19(26)22-15-9-2-3-10-16(15)24-11-4-1-5-12-24/h2-3,6-10H,1,4-5,11-12H2,(H2,22,23,25,26)

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)=109.257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.831 g/mol  logS: -5.29423  SlogP: 4.4313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748263  Sterimol/B1: 2.55899  Sterimol/B2: 3.64999  Sterimol/B3: 4.29031
  Sterimol/B4: 9.24699  Sterimol/L: 15.8451 
 
 Surface and Volume Properties
  Accessible surface: 618.618  Positive charged surface: 349.175  Negative charged surface: 269.443  Volume: 338
  Hydrophobic surface: 537.505  Hydrophilic surface: 81.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.