Compound GDE
Identifiers
- Canonical SMILES:
OC(=O)c1cc(O)c(O)c(O)c1
- IUPAC name:
3,4,5-trihydroxybenzoic acid
- InChi:
InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
- InChiKey:
LNTHITQWFMADLM-UHFFFAOYSA-N
- SMARTS:
[#8]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#8]):[#6](-[#8]):[#6](-[#8]):[#6]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
370
CHEMBL288114
GDE
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 170.02 g/mol | |||
| HBA | 4 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | 0.50 | |||
| TPSA | 97.99 | |||
| RB | 1 |