General
Preferred name
P-NITROPHENYL-O-ETHYL ETHYLPHOSPHONATE
Synonyms
Armeen ()
Armin ()
Ethyl 4-nitrophenyl ethylphosphonate ()
Armine ()
P&D ID
PD014762
CAS
546-71-4
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
2
ChEMBL Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
259.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
3.22
TPSA
78.67
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
