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DocumentationIdentifier: MM311757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311757 |
| SMILES |
N#CC#CC(F)(CO)CO
|
| InChIKey |
ATHNEKZSNCDKAR-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139035
Similarity: 0.875
Similarity to MM139035
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42508
Similarity: 0.7885
Similarity to MM42508
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312064
Similarity: 0.7109
Similarity to MM312064
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8311 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
