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DocumentationIdentifier: MM173068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173068 |
| SMILES |
N#CCC(=O)C(F)CO
|
| InChIKey |
XKJWHIPGVUNHHB-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82633
Similarity: 0.7027
Similarity to MM82633
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02197
Similarity: 0.6635
Similarity to MM02197
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.7977 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173246
Similarity: 0.6587
Similarity to MM173246
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7943 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
