FKKTLib v2021: details for selected entry

AGo8-a-3 (3891)

FormulaC23H25F6N3O
MW473.47
InChIKeySMLJLMBSZRGABR-WOJBJXKFSA-N
hba3
hbd2
lipinski_violations1
pains_match0
reactivity0
rotatable_bonds5
veber_rule1
b_m_subgroup_collapsed0
drug_score0.504034
logp6.2612
mw473.461
molecular_weight473.461
qed_score0.504034
tpsa44.37
s_m_entry_id3891
s_m_subgroup_titletest
s_m_subgroupidtest
nmr_kodani NMR podatkov
nova_ali_stara_spojinaFKKT-FFA knjiznica
smilesCN(C)[C@@H]1CCCC[C@H]1Nc1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
dodaten_komentar0
fizicna_ali_virtualna_spojinafizicen vzorec
koda_racka_1_nuncnu00380159
koda_racka_fkkt52
koda_vialenumb136334
literaturno_znana_neznana_ali_komercialna_spojinaN
lokacijaFKKT hladilnik 1
masa_mg65
pozicija_v_racku_in_rack52A6
raziskovalecAna Golob
raziskovalna_skupinaprof. dr. Jurij Svete
trden_tekoc_vzorec_ali_raztopinaTrdna spojina
velikost_viale1 mL