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


PUBCHEM-ZINC04772427

 MMsINC code: MMs03168793
Type: Neutral
Formula: C10H16N4O5
SMILES:   O1C(CO)C(O)C(O)C1n1cnc(C(OC)=N)c1N
InChI:   InChI=1/C10H16N4O5/c1-18-9(12)5-8(11)14(3-13-5)10-7(17)6(16)4(2-15)19-10/h3-4,6-7,10,12,15-17H,2,11H2,1H3/b12-9+/t4-,6+,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)=102.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.261 g/mol  logS: -0.21525  SlogP: -1.85593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749621  Sterimol/B1: 1.307  Sterimol/B2: 2.95621  Sterimol/B3: 4.12866
  Sterimol/B4: 6.35784  Sterimol/L: 14.6742 
 
 Surface and Volume Properties
  Accessible surface: 480.025  Positive charged surface: 386.526  Negative charged surface: 93.499  Volume: 236.375
  Hydrophobic surface: 241.868  Hydrophilic surface: 238.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03168794
PUBCHEM-ZINC04772427