General
Preferred name
METALOL
Synonyms
MJ-1998,(+/-) ()
METALOL HYDROCHLORIDE ()
Threo-metalol ()
MJ-1998 ()
Threo-metalol hydrochloride ()
MJ 1998 ()
P&D ID
PD071487
CAS
7701-65-7
955-48-6
Tags
drug candidate
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
258.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
0.7
TPSA
78.43
Fraction CSP3
0.45
Chiral centers
2.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
