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


PUBCHEM-ZINC05117028

 MMsINC code: MMs03204650
Type: Neutral
Formula: C10H14N6O4
SMILES:   O1C(CO)C(O)C(O)C1n1c2c(nc1N)nc(nc2)N
InChI:   InChI=1/C10H14N6O4/c11-9-13-1-3-7(14-9)15-10(12)16(3)8-6(19)5(18)4(2-17)20-8/h1,4-6,8,17-19H,2H2,(H4,11,12,13,14,15)/t4-,5-,6-,8+/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)=53.227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.26 g/mol  logS: -1.57578  SlogP: -2.3023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140173  Sterimol/B1: 2.89936  Sterimol/B2: 4.11656  Sterimol/B3: 4.36278
  Sterimol/B4: 6.90485  Sterimol/L: 11.9551 
 
 Surface and Volume Properties
  Accessible surface: 453.72  Positive charged surface: 344.082  Negative charged surface: 109.639  Volume: 232.375
  Hydrophobic surface: 112.751  Hydrophilic surface: 340.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03204651
PUBCHEM-ZINC05117028