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DocumentationIdentifier: MM304544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304544 |
| SMILES |
C#CC=C(CC#C)NC=O
|
| InChIKey |
PTWPTXUAZOKQBK-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179066
Similarity: 0.8362
Similarity to MM179066
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304509
Similarity: 0.705
Similarity to MM304509
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.827 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75423
Similarity: 0.6831
Similarity to MM75423
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.8117 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
