S-EMCA
SMILES | CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)[C@H](C[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)O)[C@@H](C[C@@H](C(=O)O)C)C |
InChIKey | NPBCMXATLRCCLF-IRRLEISYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 450.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |