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DocumentationIdentifier: MM28067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28067 |
| SMILES |
N#CCC=CCO
|
| InChIKey |
WPVGCOZUWLMELF-UHFFFAOYSA-N
|
| MW [Da] |
97.12
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126637
Similarity: 0.766
Similarity to MM126637
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33638
Similarity: 0.72
Similarity to MM33638
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114094
Similarity: 0.6923
Similarity to MM114094
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
