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


NCID-ZINC05566556

 MMsINC code: MMs02475487
Type: Neutral
Formula: C2H4N2O3S
SMILES:   S1(=O)(=O)NC(=O)CN1
InChI:   InChI=1/C2H4N2O3S/c5-2-1-3-8(6,7)4-2/h3H,1H2,(H,4,5)

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)=-34.9352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.131 g/mol  logS: 0.16767  SlogP: -2.0494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220583  Sterimol/B1: 3.02196  Sterimol/B2: 3.06296  Sterimol/B3: 3.06416
  Sterimol/B4: 4.03984  Sterimol/L: 7.31629 
 
 Surface and Volume Properties
  Accessible surface: 254.643  Positive charged surface: 132.658  Negative charged surface: 121.984  Volume: 90.125
  Hydrophobic surface: 42.4087  Hydrophilic surface: 212.2343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.