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


NCID-ZINC01666445

 MMsINC code: MMs02302654
Type: Neutral
Formula: C4H3N5S
SMILES:   s1nc2c(ncnc2N)n1
InChI:   InChI=1/C4H3N5S/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H2,5,6,7,9)

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)=25.7891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.169 g/mol  logS: -1.59413  SlogP: 0.0635  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.72944e-07  Sterimol/B1: 2.18318  Sterimol/B2: 2.18682  Sterimol/B3: 2.55758
  Sterimol/B4: 6.19091  Sterimol/L: 8.87355 
 
 Surface and Volume Properties
  Accessible surface: 282.835  Positive charged surface: 203.146  Negative charged surface: 79.6891  Volume: 117.5
  Hydrophobic surface: 21.8126  Hydrophilic surface: 261.0224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.