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| Descriptor set | |
|---|---|
| MACCS | 17 (CTC) |
| 50 (C=C(C)) | |
| 54 (QHAAQH) | |
| 125 (aromatic ring > 1) | |
| substructure fingerprint | 84 (carboxylic acid) |
| 90 (carbothioic S ester) | |
| MOE 2D | a_hyd |
| a_nC | |
| b_single | |
| logP(o/w) | |
| b_rotR | |
| density | |
| logS | |
| vdw_area | |
| vsa_hyd | |
