General
Preferred name
IRISQUINONE A
Synonyms
P&D ID
PD067372
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
374.28
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
16
Ring Count
1
Aromatic Ring Count
0
cLogP
6.63
TPSA
43.37
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
6.0
QED
0.17
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
