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


CHEMDIV-ZINC05351784

 MMsINC code: MMs00995950
Type: Neutral
Formula: C17H9FN2O3S
SMILES:   s1c2cc(F)ccc2nc1NC(=O)C=1Oc2c(cccc2)C(=O)C=1
InChI:   InChI=1/C17H9FN2O3S/c18-9-5-6-11-15(7-9)24-17(19-11)20-16(22)14-8-12(21)10-3-1-2-4-13(10)23-14/h1-8H,(H,19,20,22)

Download   format file 
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)=68.4993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.334 g/mol  logS: -6.35885  SlogP: 3.5331  Reactive groups: 1
 
 Topological Properties
  Globularity: 9.88424e-08  Sterimol/B1: 2.17833  Sterimol/B2: 2.19167  Sterimol/B3: 3.57024
  Sterimol/B4: 5.59091  Sterimol/L: 18.5063 
 
 Surface and Volume Properties
  Accessible surface: 541.591  Positive charged surface: 263.202  Negative charged surface: 278.389  Volume: 284.25
  Hydrophobic surface: 417.612  Hydrophilic surface: 123.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.