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DocumentationIdentifier: MM384523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384523 |
| SMILES |
C#CC=C(C=O)C(=O)NC
|
| InChIKey |
VLKQXQTXIMWGAK-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86927
Similarity: 0.6918
Similarity to MM86927
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384421
Similarity: 0.6587
Similarity to MM384421
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7942 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300795
Similarity: 0.6564
Similarity to MM300795
| Tanimoto metric | 0.6564 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7926 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
