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


NCID-ZINC01623389

 MMsINC code: MMs02270733
Type: Neutral
Formula: C3H9NO4S
SMILES:   S(OCCCN)(O)(=O)=O
InChI:   InChI=1/C3H9NO4S/c4-2-1-3-8-9(5,6)7/h1-4H2,(H,5,6,7)

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)=-18.8376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.174 g/mol  logS: 0.24122  SlogP: -1.4111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0854604  Sterimol/B1: 2.58749  Sterimol/B2: 2.87405  Sterimol/B3: 3.01353
  Sterimol/B4: 3.25488  Sterimol/L: 10.9859 
 
 Surface and Volume Properties
  Accessible surface: 316.309  Positive charged surface: 195.535  Negative charged surface: 120.774  Volume: 120.625
  Hydrophobic surface: 109.991  Hydrophilic surface: 206.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.