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


NCID-ZINC01620312

 MMsINC code: MMs02268531
Type: Neutral
Formula: C10H10FNO3S
SMILES:   S(CCC(O)=O)C(=O)Nc1ccccc1F
InChI:   InChI=1/C10H10FNO3S/c11-7-3-1-2-4-8(7)12-10(15)16-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)

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)=19.8271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.258 g/mol  logS: -2.80755  SlogP: 2.5655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140346  Sterimol/B1: 2.48762  Sterimol/B2: 2.55422  Sterimol/B3: 2.75724
  Sterimol/B4: 5.57803  Sterimol/L: 15.4906 
 
 Surface and Volume Properties
  Accessible surface: 442.183  Positive charged surface: 236.629  Negative charged surface: 205.554  Volume: 205.375
  Hydrophobic surface: 263.707  Hydrophilic surface: 178.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02268532
NCID-ZINC01620312