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


PUBCHEM-ZINC05163075

 MMsINC code: MMs03218627
Type: Neutral
Formula: C10H11N5O4
SMILES:   O1C2C(O)C(O)C1n1c(nc3c1ncnc3N)C2O
InChI:   InChI=1/C10H11N5O4/c11-7-2-8(13-1-12-7)15-9(14-2)5(18)6-3(16)4(17)10(15)19-6/h1,3-6,10,16-18H,(H2,11,12,13)/t3-,4+,5-,6-,10+/m1/s1

Download   format file 
Drug Similarity  |  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)=91.2859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.229 g/mol  logS: -0.9169  SlogP: -1.7343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984839  Sterimol/B1: 2.45101  Sterimol/B2: 3.01068  Sterimol/B3: 3.44679
  Sterimol/B4: 6.93701  Sterimol/L: 12.4412 
 
 Surface and Volume Properties
  Accessible surface: 423.199  Positive charged surface: 307.523  Negative charged surface: 115.676  Volume: 211.25
  Hydrophobic surface: 110.167  Hydrophilic surface: 313.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03218628
PUBCHEM-ZINC05163075