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DocumentationIdentifier: MM39581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39581 |
| SMILES |
CC#CCC=CC#N
|
| InChIKey |
BYYWQKJGLYYDFD-UHFFFAOYSA-N
|
| MW [Da] |
105.14
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214622
Similarity: 0.8846
Similarity to MM214622
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214634
Similarity: 0.8519
Similarity to MM214634
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56519
Similarity: 0.8519
Similarity to MM56519
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+873 more
