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DocumentationIdentifier: MM92920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92920 |
| SMILES |
N#CCOC=CC(O)C#N
|
| InChIKey |
JXRWMYDDBKJEJK-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM49481
Similarity: 0.9024
Similarity to MM49481
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM45371
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| Tanimoto metric | 0.8171 |
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| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363477
Similarity: 0.8132
Similarity to MM363477
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.897 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
