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


IBS-ZINC02202375

 MMsINC code: MMs01801109
Type: Neutral
Formula: C24H19ClFN3O4
SMILES:   Clc1cccc(F)c1COc1cc(O)c(cc1)-c1nc(ncc1Oc1ccccc1OC)N
InChI:   InChI=1/C24H19ClFN3O4/c1-31-20-7-2-3-8-21(20)33-22-12-28-24(27)29-23(22)15-10-9-14(11-19(15)30)32-13-16-17(25)5-4-6-18(16)26/h2-12,30H,13H2,1H3,(H2,27,28,29)

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)=103.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.884 g/mol  logS: -7.32423  SlogP: 5.8702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966877  Sterimol/B1: 2.41632  Sterimol/B2: 3.11325  Sterimol/B3: 7.34772
  Sterimol/B4: 8.95943  Sterimol/L: 18.5016 
 
 Surface and Volume Properties
  Accessible surface: 743.851  Positive charged surface: 439.341  Negative charged surface: 300.928  Volume: 410.5
  Hydrophobic surface: 587.794  Hydrophilic surface: 156.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.