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Target overview · Chemical properties & annotations
AMPA
Campaign Overview
- Campaigns
- 1
- Candidates
- 108
- Pharmacophore Features
- 7
- Best WeaveRank
- 1.62
Ligand Identity
- Name
- AMPA
- Modality
- Small Molecule
- SMILES
- NCP(=O)(O)O
- PubChem CID
- 14017 ↗
Compound Details
- IUPAC Name
- aminomethylphosphonic acid
- Molecular Formula
- CH6NO3P
- Molecular Weight
- 111.04 g/mol
- InChI
- InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
- InChI Key
- MGRVRXRGTBOSHW-UHFFFAOYSA-N
Ligand Properties
- QED
- 0.382
- Molecular Weight
- 111.04 g/mol
- logP
- -0.92
- H-Bond Donors
- 3
- H-Bond Acceptors
- 2
- Rotatable Bonds
- 1
- Lipinski Violations
- 0
- ADMET Risk
- 0.05
- ADMET Toxicity Risk
- 0.15
- Synthetic Accessibility
- 0.75
Computed once for the campaign ligand · admet_ai
Pharmacophore Features
3H-Bond Donor
3H-Bond Acceptor
1Positive Ionizable
Top Candidates
| UID | WeaveRank | QED | Source |
|---|---|---|---|
| BG_SM_DENOVO… | 1.62 | — | boltzgen |
| BG_SM_DENOVO… | 0.50 | — | boltzgen |
| BG_SM_DENOVO… | 0.39 | — | boltzgen |
| BG_SM_DENOVO… | 0.35 | — | boltzgen |