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
448009
DB04237
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 |