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DocumentationIdentifier: MM293258
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293258 |
| SMILES |
N#CCC(F)C(=O)CCO
|
| InChIKey |
BWLTUXXJOCFISD-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172524
Similarity: 0.7355
Similarity to MM172524
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350371
Similarity: 0.6463
Similarity to MM350371
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7851 |
| Dice metric | 0.7851 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269147
Similarity: 0.6118
Similarity to MM269147
| Tanimoto metric | 0.6118 |
|---|---|
| Cosine metric | 0.7592 |
| Dice metric | 0.7592 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
