Formula | C33H37N7O8S |
MW | 691.76 |
InChIKey | MJKDIQYXHCFHQR-BUFPPZMGSA-N |
hba | 12 |
hbd | 5 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 17 |
veber_rule | 0 |
b_m_subgroup_collapsed | 0 |
drug_score | 0 |
logp | 1.5815 |
mw | 691.767 |
molecular_weight | 691.767 |
qed_score | 0.0592224 |
tpsa | 206.81 |
s_m_entry_id | 3736 |
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)CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C(=C/Nc1nc(SC)ncc1C(=O)OCC)NC(=O)c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00325926 |
koda_racka_fkkt | 50 |
koda_viale | numb142706 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 16 |
pozicija_v_racku_in_rack | 50D6 |
raziskovalec | Jurij Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |