HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound TAM

Identifiers

  • Canonical SMILES:
    NC(CCO)(CCO)CCO
  • IUPAC name:
    3-amino-3-(2-hydroxyethyl)pentane-1,5-diol
  • InChi:
    InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2
  • InChiKey:
    GKODZWOPPOTFGA-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
9did Sept. 5, 2024 Jones Christopher P., Ferré-D’Amaré Adrian R.. . Structural switching dynamically controls the doubly pseudoknotted Rous sarcoma virus–programmed ribosomal frameshifting element Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 163.12 g/mol
HBA 4
HBD 4
HBA + HBD
AlogP -1.17
TPSA 86.71
RB 6

Radar chart