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DocumentationIdentifier: MM387489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387489 |
| SMILES |
C#CCOC(C=O)CC=C
|
| InChIKey |
NBUCXTLJCWGFKX-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272134
Similarity: 0.7155
Similarity to MM272134
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8342 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349885
Similarity: 0.6815
Similarity to MM349885
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8106 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156012
Similarity: 0.6762
Similarity to MM156012
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8068 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
