Molecule card · MolClass #1311

Clindamycin hydrochloride

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

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: Clindamycin hydrochlorideFlucanozole Synergizer · compound_name
11532993Antifungal Pump Inhibitors · compound_name
11532993Mitochondrial Fusion · compound_name
MolClass ID: 1311
InChIKey: KDLRVYVGXIQJDK-SSDYFQDUSA-N
Canonical SMILES: CCCC2CC(C(=O)NC(C(C)Cl)C1OC(C(O)C(O)C1(O))SC)N(C)C2
Standard InChI: InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16?,18+/m0/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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 4; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 127.56 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.985 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.001; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Clindamycin hydrochloride
Antifungal Pump Inhibitors
Dataset #18 · 11532993
Mitochondrial Fusion
Dataset #19 · 11532993