General
Preferred name
alkyl OMPT
Synonyms
P&D ID
PD050097
Tags
drug candidate
Drug indication
Discovery agent
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
452.27
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
22
Ring Count
0
Aromatic Ring Count
0
cLogP
6.28
TPSA
68.15
Fraction CSP3
0.91
Chiral centers
1.0
Largest ring
0.0
QED
0.11
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
