Molecule card · MolClass #41012
7978006
7978006: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7978006Mitochondrial Fusion · compound_name
- MolClass ID
- 41012
- InChIKey
- AOLCPXRGICDDCR-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2C(=O)CC(O)(Oc2(c1))C(F)(F)C(F)F
- Standard InChI
- InChI=1S/C12H10F4O4/c1-19-6-2-3-7-8(17)5-11(18,20-9(7)4-6)12(15,16)10(13)14/h2-4,10,18H,5H2,1H3
- Stored Murcko scaffold
- O1c2ccccc2[CH]CC1
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.
- 22412105#26781
- 4259457#29927
- 87334176#30131
- 26659153#32534
- 7972929#37934
- 7974877#42204
- KM 07079#81079
- Cc1ccc2OC(O)(CC(=O)c2c1)C(F)(F)C(F)F#152344
- CC1(C)CC(=O)c2c(O)cc(O)cc2O1#152973
- CC(=O)C1COc2ccc(C)cc2C1=O#154324
- CCOC(=O)COc1ccc2C(=O)CC(C)(C)Oc2c1#154789
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.199 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.598
- 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 · 7978006