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


PUBCHEM-ZINC05845025

 MMsINC code: MMs03413061
Type: Neutral
Formula: C10H15FN5O4P
SMILES:   P(OCC)(O)(=O)C(F)OCCn1c2ncnc(N)c2nc1
InChI:   InChI=1/C10H15FN5O4P/c1-2-20-21(17,18)10(11)19-4-3-16-6-15-7-8(12)13-5-14-9(7)16/h5-6,10H,2-4H2,1H3,(H,17,18)(H2,12,13,14)/t10-/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)=55.3868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.233 g/mol  logS: -1.30378  SlogP: 0.5162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978314  Sterimol/B1: 2.42215  Sterimol/B2: 4.04255  Sterimol/B3: 4.88213
  Sterimol/B4: 5.72115  Sterimol/L: 16.1938 
 
 Surface and Volume Properties
  Accessible surface: 548.375  Positive charged surface: 391.337  Negative charged surface: 157.037  Volume: 260
  Hydrophobic surface: 244.83  Hydrophilic surface: 303.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.