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DocumentationIdentifier: MM289951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289951 |
| SMILES |
N#CC=CCC#CC(N)=O
|
| InChIKey |
ZFVLUPWMEDXBFF-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154661
Similarity: 0.8353
Similarity to MM154661
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289959
Similarity: 0.7634
Similarity to MM289959
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8659 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69362
Similarity: 0.7634
Similarity to MM69362
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8659 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
