Molecule card · MolClass #1466

Lincomycin hydrochloride

Lincomycin hydrochloride: 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: Lincomycin hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID: 1466
InChIKey: OJMMVQQUTAEWLP-HZUSHKNOSA-N
Canonical SMILES: CCCC2CC(C(=O)NC(C(C)O)C1OC(C(O)C(O)C1(O))SC)N(C)C2
Standard InChI: InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1
Stored Murcko scaffold: O1CCCCC1CN[CH]C2NCCC2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 8; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 5; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 147.79 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 406.539 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.69; 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.

Flucanozole Synergizer
Dataset #3 · Lincomycin hydrochloride