Formula | C27H28N4O4 |
MW | 472.54 |
InChIKey | LNVXOCFJTQSREO-QHCPKHFHSA-N |
hba | 7 |
hbd | 1 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 9 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.377728 |
logp | 3.1704 |
mw | 472.545 |
molecular_weight | 472.545 |
qed_score | 0.377728 |
tpsa | 95.22 |
s_m_entry_id | 270 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | CCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c2c(cnn2Cc2ccccc2)c1=O |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325925 |
koda_racka_fkkt | 4 |
koda_viale | NUMB141938 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 142 |
pozicija_v_racku_in_rack | 4C7 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |