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


ACROSORGANICS-ZINC04676170

 MMsINC code: MMs00018462
Type: Neutral
Formula: C2H6N2S
SMILES:   S(C(N)=N)C
InChI:   InChI=1/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)

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)=-21.2952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.15 g/mol  logS: -1.1177  SlogP: 0.24287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399672  Sterimol/B1: 2.37439  Sterimol/B2: 2.3756  Sterimol/B3: 3.29385
  Sterimol/B4: 3.30076  Sterimol/L: 8.47674 
 
 Surface and Volume Properties
  Accessible surface: 247.895  Positive charged surface: 150.45  Negative charged surface: 97.445  Volume: 84.75
  Hydrophobic surface: 82.458  Hydrophilic surface: 165.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.