Molecule card · MolClass #9271
corticosterone
corticosterone: 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
- corticosteroneBlood Brain Barrier · compound_name
- MolClass ID
- 9271
- InChIKey
- OMFXVFTZEKFJBZ-IIJALIKYSA-N
- Canonical SMILES
- CC24(CCC(=O)C=C4(CCC1C3CCC(C(=O)CO)C3(C)(CC(O)C12)))
- Standard InChI
- InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17+,19+,20-,21-/m0/s1
- Stored Murcko scaffold
- C=1[CH]CCC2C1CCC3C2CCC4CCCC43
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 00759#179
- LOPAC 00951#509
- LOPAC 00948#536
- LOPAC 00944#563
- LOPAC 01120#822
- LOPAC 01179#961
- tesosterone#1259
- Medrysone#1323
- Norgestrel-(-)-D#1338
- Hydrocortisone base#1451
- Progesterone#1499
- Testosterone propionate#1508
- Ethisterone#1606
- Norethindrone#1609
- Corticosterone#1622
- Deoxycorticosterone#1924
- ETHISTERONE#2063
- NORETHINDRONE#2146
- FLUDROCORTISONE ACETATE#2217
- HYDROCORTISONE ACETATE#2219
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.461 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.704
- 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.
Blood Brain Barrier
Dataset #7 · corticosterone