Formula | C18H19NO5S |
MW | 361.41 |
InChIKey | DYHPSPOTEZXPEA-QANKJYHBSA-N |
hba | 7 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 3 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.648856 |
logp | 1.7643 |
mw | 361.419 |
molecular_weight | 361.419 |
qed_score | 0.648856 |
tpsa | 81.7 |
s_m_entry_id | 118 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | kt57905 |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | COC(=O)C1=C(C)N[C@@]2(C1=O)[C@@H](OC(C)=O)CS[C@H]2c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325924 |
koda_racka_fkkt | 3 |
koda_viale | NUJD034149 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 59 |
pozicija_v_racku_in_rack | 3A4 |
raziskovalec | Luka Ciber |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |