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


NCID-ZINC01873000

 MMsINC code: MMs02376921
Type: Neutral
Formula: C11H10N4O2
SMILES:   OC(=O)c1nc(nc(N)c1-c1ccccc1)N
InChI:   InChI=1/C11H10N4O2/c12-9-7(6-4-2-1-3-5-6)8(10(16)17)14-11(13)15-9/h1-5H,(H,16,17)(H4,12,13,14,15)

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)=27.939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.227 g/mol  logS: -3.1912  SlogP: 1.0062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0947417  Sterimol/B1: 3.26525  Sterimol/B2: 3.27873  Sterimol/B3: 4.64907
  Sterimol/B4: 5.61264  Sterimol/L: 12.8314 
 
 Surface and Volume Properties
  Accessible surface: 422.965  Positive charged surface: 277.351  Negative charged surface: 144.242  Volume: 202.625
  Hydrophobic surface: 166.675  Hydrophilic surface: 256.29
 
 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


MMs02376922
NCID-ZINC01873000