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DocumentationIdentifier: MM67518
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67518 |
| SMILES |
C#CC=C(C=O)NC(C)=O
|
| InChIKey |
UUCUWTIMBLZBSW-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136137
Similarity: 0.7239
Similarity to MM136137
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52013
Similarity: 0.7164
Similarity to MM52013
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67492
Similarity: 0.6303
Similarity to MM67492
| Tanimoto metric | 0.6303 |
|---|---|
| Cosine metric | 0.7732 |
| Dice metric | 0.7732 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
