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


PUBCHEM-ZINC06581486

 MMsINC code: MMs03807640
Type: Neutral
Formula: C6H9N4OPS-2
SMILES:   S=P(Oc1ccccc1)(N[NH-])N[NH-]
InChI:   InChI=1/C6H9N4OPS/c7-9-12(13,10-8)11-6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,13)/q-2

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)=115.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.205 g/mol  logS: -2.49266  SlogP: 0.8649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819688  Sterimol/B1: 3.12281  Sterimol/B2: 3.21146  Sterimol/B3: 3.88058
  Sterimol/B4: 4.70334  Sterimol/L: 12.2005 
 
 Surface and Volume Properties
  Accessible surface: 384.759  Positive charged surface: 190.513  Negative charged surface: 194.247  Volume: 184.125
  Hydrophobic surface: 172.298  Hydrophilic surface: 212.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 1  Acid groups: 2  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.