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DocumentationIdentifier: MM355317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355317 |
| SMILES |
N#CC=CC(O)C(F)CO
|
| InChIKey |
KVKXYOASFHAPHM-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355119
Similarity: 0.7214
Similarity to MM355119
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8382 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355432
Similarity: 0.6645
Similarity to MM355432
| Tanimoto metric | 0.6645 |
|---|---|
| Cosine metric | 0.7984 |
| Dice metric | 0.7984 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231590
Similarity: 0.6452
Similarity to MM231590
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7844 |
| Dice metric | 0.7843 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
