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


NCID-ZINC04367071

MMsINC code: MMs02384433

Type: Neutral
Formula: C10H14N6O3
SMILES:   O1C(CO)C(N)C(O)C1n1c2ncnc(N)c2nc1
InChI:   InChI=1/C10H14N6O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5+,7-,10-/m0/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)=78.5161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.261 g/mol  logS: -0.85658  SlogP: -1.9181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828058  Sterimol/B1: 2.71524  Sterimol/B2: 2.72391  Sterimol/B3: 4.51197
  Sterimol/B4: 5.36326  Sterimol/L: 13.746 
 
 Surface and Volume Properties
  Accessible surface: 457.406  Positive charged surface: 352.157  Negative charged surface: 105.249  Volume: 227.625
  Hydrophobic surface: 159.12  Hydrophilic surface: 298.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.