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


PUBCHEM-ZINC06091404

 MMsINC code: MMs03537407
Type: Neutral
Formula: C6H7ClN6O
SMILES:   Clc1nc(C(=O)N=C(N)N)c(nc1)N
InChI:   InChI=1/C6H7ClN6O/c7-2-1-11-4(8)3(12-2)5(14)13-6(9)10/h1H,(H2,8,11)(H4,9,10,13,14)

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)=31.5067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.616 g/mol  logS: -0.78062  SlogP: -0.8742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448283  Sterimol/B1: 2.34302  Sterimol/B2: 3.06146  Sterimol/B3: 4.65009
  Sterimol/B4: 5.05999  Sterimol/L: 11.4808 
 
 Surface and Volume Properties
  Accessible surface: 389.622  Positive charged surface: 234.876  Negative charged surface: 154.746  Volume: 168.375
  Hydrophobic surface: 117.905  Hydrophilic surface: 271.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03537408
PUBCHEM-ZINC06091404