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Target overview · Chemical properties & annotations
Pentachlorophenol
Campaign Overview
- Campaigns
- 1
- Candidates
- 109
- Pharmacophore Features
- 9
- Best WeaveRank
- 1.35
Ligand Identity
- Name
- Pentachlorophenol
- Modality
- Small Molecule
- SMILES
- Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- PubChem CID
- 992 ↗
Compound Details
- IUPAC Name
- 2,3,4,5,6-pentachlorophenol
- Molecular Formula
- C6HCl5O
- Molecular Weight
- 266.30 g/mol
- InChI
- InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
- InChI Key
- IZUPBVBPLAPZRR-UHFFFAOYSA-N
Ligand Properties
- QED
- 0.535
- Molecular Weight
- 266.34 g/mol
- logP
- 4.66
- H-Bond Donors
- 1
- H-Bond Acceptors
- 1
- Rotatable Bonds
- 0
- Lipinski Violations
- 0
- ADMET Risk
- 0.48
- ADMET Toxicity Risk
- 0.96
- Synthetic Accessibility
- 0.85
Computed once for the campaign ligand · admet_ai
Pharmacophore Features
5Hydrophobic
1H-Bond Donor
1H-Bond Acceptor
1Aromatic
1lumpedhydrophobe.rh6_6
Top Candidates
| UID | WeaveRank | QED | Source |
|---|---|---|---|
| BG_SM_DENOVO… | 1.35 | — | boltzgen |
| BG_SM_DENOVO… | 1.09 | — | boltzgen |
| BG_SM_DENOVO… | 0.73 | — | boltzgen |
| BG_SM_DENOVO… | 0.57 | — | boltzgen |