SwissADME Check Druglikeness

Overview

Quick drug-likeness assessment of a small molecule using SwissADME. Evaluates the molecule against five standard drug-likeness filters: Lipinski Rule of Five (MW, LogP, HBD, HBA), Ghose filter (MW, LogP, MR, atoms), Veber rule (rotatable bonds, TPSA), Egan rule (LogP, TPSA), and Muegge filter (MW, LogP, TPSA, rings, HBA, HBD, rotatable bonds, carbons). Returns per-rule violation counts, whether each rule passes (0 violations), and an overall assessment. Optionally filter to specific rules. Also returns PAINS/Brenk alerts, bioavailability score, and synthetic accessibility. Useful for filtering compound libraries before purchasing or synthesis.

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed

1d ago

Last success

1d ago

Last latency

81ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "operation": {
      "description": "Operation type",
      "enum": [
        "check_druglikeness"
      ],
      "type": "string"
    },
    "rules": {
      "description": "Optional list of specific drug-likeness rules to check. If null, all 5 rules are evaluated. Valid values: lipinski, ghose, veber, egan, muegge.",
      "items": {
        "enum": [
          "lipinski",
          "ghose",
          "veber",
          "egan",
          "muegge"
        ],
        "type": "string"
      },
      "type": [
        "array",
        "null"
      ]
    },
    "smiles": {
      "description": "SMILES string of the molecule to check. Must be a valid small molecule SMILES.",
      "type": "string"
    }
  },
  "required": [
    "operation",
    "smiles"
  ],
  "type": "object"
}

Examples (1)

{
  "operation": "",
  "smiles": "CC(=O)Oc1ccccc1C(=O)O"
}

Identifiers

Catalog ID

tu_SwissADME_check_druglikeness

Tool name

SwissADME_check_druglikeness

Added

2026-05-01 00:58Z

Tags

tooluniverse