Formula | C16H20N2O7S |
MW | 384.4 |
InChIKey | PDEIRALDRKVSNG-RYUDHWBXSA-N |
hba | 6 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.790297 |
logp | 0.9541 |
mw | 384.41 |
molecular_weight | 384.41 |
qed_score | 0.790297 |
tpsa | 130.08 |
s_m_entry_id | 3456 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CC(C)(C)OC(=O)N1C(=O)[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]1C(=O)O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00329463 |
koda_racka_fkkt | 47 |
koda_viale | NUME538311 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 86 |
pozicija_v_racku_in_rack | 47EE1 |
raziskovalec | Petra Cebasek |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |