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


ASINEX-ZINC00973810

 MMsINC code: MMs00226939
Type: Neutral
Formula: C14H8FNO3S
SMILES:   S1\C(=C\c2oc(cc2)-c2ccc(F)cc2)\C(=O)NC1=O
InChI:   InChI=1/C14H8FNO3S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)/b12-7+

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)=40.5798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.286 g/mol  logS: -5.53239  SlogP: 3.4096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0032016  Sterimol/B1: 2.37248  Sterimol/B2: 2.42577  Sterimol/B3: 3.37006
  Sterimol/B4: 6.56467  Sterimol/L: 14.4584 
 
 Surface and Volume Properties
  Accessible surface: 470.715  Positive charged surface: 211.96  Negative charged surface: 258.755  Volume: 240.125
  Hydrophobic surface: 313.602  Hydrophilic surface: 157.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.