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


PUBCHEM-ZINC03806248

 MMsINC code: MMs03076834
Type: Neutral
Formula: C4H10N2S
SMILES:   S(C(C)C)C(N)=N
InChI:   InChI=1/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)

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)=-11.5298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.204 g/mol  logS: -1.77212  SlogP: 1.02147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105795  Sterimol/B1: 2.56759  Sterimol/B2: 2.66762  Sterimol/B3: 3.20761
  Sterimol/B4: 4.13951  Sterimol/L: 9.69479 
 
 Surface and Volume Properties
  Accessible surface: 292.99  Positive charged surface: 199.013  Negative charged surface: 93.9777  Volume: 119.625
  Hydrophobic surface: 110.026  Hydrophilic surface: 182.964
 
 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.