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


ASINEX-ZINC02899017

 MMsINC code: MMs00280566
Type: Neutral
Formula: C10H12FNO4S
SMILES:   S(=O)(=O)(NCCCC(O)=O)c1ccc(F)cc1
InChI:   InChI=1/C10H12FNO4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7H2,(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)=-3.11921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.273 g/mol  logS: -1.59737  SlogP: 0.9688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935904  Sterimol/B1: 2.35311  Sterimol/B2: 3.80139  Sterimol/B3: 5.1004
  Sterimol/B4: 5.22817  Sterimol/L: 14.1349 
 
 Surface and Volume Properties
  Accessible surface: 454.9  Positive charged surface: 238.69  Negative charged surface: 216.21  Volume: 215.75
  Hydrophobic surface: 272.024  Hydrophilic surface: 182.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00280567
ASINEX-ZINC02899017