Formula | C21H24N4O4 |
MW | 396.45 |
InChIKey | HRDJFOUWGRGVPI-INIZCTEOSA-N |
hba | 7 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 5 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.66497 |
logp | 3.3244 |
mw | 396.447 |
molecular_weight | 396.447 |
qed_score | 0.66497 |
tpsa | 94.82 |
s_m_entry_id | 63 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ok23877 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)c1cnn2c([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccnc12 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00246861 |
koda_racka_fkkt | 1 |
koda_viale | NUJD034617 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 110 |
pozicija_v_racku_in_rack | 1F3 |
raziskovalec | Nejc Petek |
raziskovalna_skupina | Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |