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


PUBCHEM-ZINC06585366

 MMsINC code: MMs03809788
Type: Neutral
Formula: C10H12FN5O4
SMILES:   FC1C(O)C(OC1CO)n1c2N=C(NC(=O)c2nc1)N
InChI:   InChI=1/C10H12FN5O4/c11-4-3(1-17)20-9(6(4)18)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6+,9-/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)=49.3782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.235 g/mol  logS: -1.19189  SlogP: -1.3232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0876665  Sterimol/B1: 2.48815  Sterimol/B2: 3.64004  Sterimol/B3: 3.67792
  Sterimol/B4: 5.71069  Sterimol/L: 13.6311 
 
 Surface and Volume Properties
  Accessible surface: 463.568  Positive charged surface: 320.564  Negative charged surface: 143.004  Volume: 225
  Hydrophobic surface: 147.791  Hydrophilic surface: 315.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03809789
PUBCHEM-ZINC06585366