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


NCID-ZINC01614490

 MMsINC code: MMs02264320
Type: Neutral
Formula: C6H4N4O4
SMILES:   O=C1NC2=C(NC1=O)NC(=O)NC2=O
InChI:   InChI=1/C6H4N4O4/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)

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)=10.6778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.122 g/mol  logS: -1.32734  SlogP: -2.7591  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.31813e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0974  Sterimol/B3: 3.65962
  Sterimol/B4: 4.36928  Sterimol/L: 10.3498 
 
 Surface and Volume Properties
  Accessible surface: 315.127  Positive charged surface: 171.844  Negative charged surface: 143.282  Volume: 141.125
  Hydrophobic surface: 7.54553  Hydrophilic surface: 307.58147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.