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DocumentationIdentifier: MM288608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288608 |
| SMILES |
CC(=O)NC=COCC#N
|
| InChIKey |
LLLQRBIULCBRRA-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288506
Similarity: 0.7895
Similarity to MM288506
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8824 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288607
Similarity: 0.7629
Similarity to MM288607
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8655 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68781
Similarity: 0.7327
Similarity to MM68781
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8457 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
