Molecule card · MolClass #51990

7974765

7974765: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 7974765Mitochondrial Fusion · compound_name
MolClass ID: 51990
InChIKey: DHAXLZVOCYIADN-UHFFFAOYSA-N
Canonical SMILES: COc1ccc(OC)c(c1)C(=O)c3coc2ccc(cc23)OC
Standard InChI: InChI=1S/C18H16O5/c1-20-11-5-7-17-13(8-11)15(10-23-17)18(19)14-9-12(21-2)4-6-16(14)22-3/h4-10H,1-3H3
Stored Murcko scaffold: o1cc([CH]c2ccccc2)c3ccccc13

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

LOPAC 00166#214
Benzbromarone#1644
663373#10886
1952026#11468
1361563#12877
124968897#25079
103534066#25237
863762#30905
47195331#32586
863447#39904
Prestw-409#78037
CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(F)cc3)c21#151071

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 57.9 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 312.317 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.282; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 7974765