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


NIH-ZINC01054188

 MMsINC code: MMs02522532
Type: Neutral
Formula: C19H17ClFN3O4S
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NCCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C19H17ClFN3O4S/c1-11-16(18(24-28-11)17-14(20)3-2-4-15(17)21)19(25)23-10-9-12-5-7-13(8-6-12)29(22,26)27/h2-8H,9-10H2,1H3,(H,23,25)(H2,22,26,27)

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)=54.4703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.879 g/mol  logS: -5.97118  SlogP: 3.06239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539221  Sterimol/B1: 2.18415  Sterimol/B2: 3.49767  Sterimol/B3: 4.68807
  Sterimol/B4: 10.3684  Sterimol/L: 17.5598 
 
 Surface and Volume Properties
  Accessible surface: 677.241  Positive charged surface: 324.203  Negative charged surface: 353.038  Volume: 365
  Hydrophobic surface: 495.294  Hydrophilic surface: 181.947
 
 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


MMs02522533
NIH-ZINC01054188