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DocumentationIdentifier: MM264806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264806 |
| SMILES |
CC#CC(=O)NC(C)C=O
|
| InChIKey |
FPTKMVRKSQVKLT-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142429
Similarity: 0.8208
Similarity to MM142429
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46537
Similarity: 0.7358
Similarity to MM46537
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60125
Similarity: 0.6983
Similarity to MM60125
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8223 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
