Formula | C21H28N2O6S |
MW | 436.52 |
InChIKey | FIVVUUUMNYFCDU-MAUBAPBLSA-N |
hba | 8 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 13 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.0580689 |
logp | 1.7069 |
mw | 436.53 |
molecular_weight | 436.53 |
qed_score | 0.158069 |
tpsa | 110.8 |
s_m_entry_id | 1284 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCOC(=O)CNC(=O)[C@H](CCSC)N/C=C(/C(=O)OCC)C(=O)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045561 |
koda_racka_fkkt | 19 |
koda_viale | NA0019513515 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 448 |
pozicija_v_racku_in_rack | 19F8 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |