Formula | C34H52N2O2 |
MW | 520.8 |
InChIKey | FREIMPCQEKIDQW-ANRXQSGZSA-N |
hba | 4 |
hbd | 2 |
lipinski_violations | 2 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 4 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.225856 |
logp | 7.7502 |
mw | 520.802 |
molecular_weight | 520.802 |
qed_score | 0.425856 |
tpsa | 42.52 |
s_m_entry_id | 3880 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | C[C@H]1CO[C@@]2(C1)[C@@H](Nc1ccccc1N[C@H]1[C@@H]3CC[C@@](C)(C3(C)C)[C@]13C[C@@H](C)CO3)[C@@H]1CC[C@@]2(C)C1(C)C |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00380160 |
koda_racka_fkkt | 51 |
koda_viale | nuob206604 |
literaturno_znana_neznana_ali_komercialna_spojina | ??? |
lokacija | FKKT hladilnik 1 |
masa_mg | 23 |
pozicija_v_racku_in_rack | 51H7 |
raziskovalec | Uroš Grošelj |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |