Formula | C21H22N2O3 |
MW | 350.42 |
InChIKey | BGNDGQYKKGBMLK-WAOWUJCRSA-N |
hba | 4 |
hbd | 0 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.797558 |
logp | 3.2537 |
mw | 350.418 |
molecular_weight | 350.418 |
qed_score | 0.797558 |
tpsa | 49.85 |
s_m_entry_id | 3781 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)[C@@]1(C)C[C@H](c2ccccc2)N2[C@H](c3ccccc3)CC(=O)N21 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | nu00325926 |
koda_racka_fkkt | 50 |
koda_viale | numb142405 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 20 |
pozicija_v_racku_in_rack | 50H3 |
raziskovalec | Jurij Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |