Formula | C31H26Cl2N4O6 |
MW | 621.48 |
InChIKey | HCRGFZLUXVLFAK-LXSUACKSSA-N |
hba | 7 |
hbd | 2 |
lipinski_violations | 1 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 6 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.305288 |
logp | 4.4593 |
mw | 621.477 |
molecular_weight | 621.477 |
qed_score | 0.305288 |
tpsa | 121.04 |
s_m_entry_id | 665 |
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@@H]1[C@@H](c2c(Cl)cccc2Cl)N2[C@@H](c3c[nH]c4ccccc34)[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)OC |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | NU00325919 |
koda_racka_fkkt | 9 |
koda_viale | NUMB139951 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno znana |
lokacija | FKKT hladilnik 1 |
masa_mg | 3 |
pozicija_v_racku_in_rack | 9D9 |
raziskovalec | ? |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 1 mL |