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DocumentationIdentifier: MM330743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330743 |
| SMILES |
C#CC(C=O)NC(=O)C=C
|
| InChIKey |
BSVKYOCIIMLHGV-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
MM142498
Similarity: 0.728
Similarity to MM142498
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330835
Similarity: 0.6791
Similarity to MM330835
| Tanimoto metric | 0.6791 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8089 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330774
Similarity: 0.6463
Similarity to MM330774
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7851 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
