Formula | C33H27N3O5 |
MW | 545.59 |
InChIKey | LZZZXOFTERQNCS-AIQXTLEGSA-N |
hba | 6 |
hbd | 1 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.283577 |
logp | 4.4827 |
mw | 545.595 |
molecular_weight | 545.595 |
qed_score | 0.283577 |
tpsa | 96.02 |
s_m_entry_id | 653 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | O=C(N[C@H]1C(=O)N2[C@H](C(=O)OC(=O)c3ccccc3)C[C@H](c3ccccc3)N2[C@H]1c1ccccc1)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325919 |
koda_racka_fkkt | 9 |
koda_viale | NUMB139696 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 2 |
pozicija_v_racku_in_rack | 9C9 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |