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DocumentationIdentifier: MM433281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433281 |
| SMILES |
N#CC1(C#N)CN1CCO
|
| InChIKey |
PPLDWAIPDDRMIR-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM288460
Similarity: 0.8743
Similarity to MM288460
| Tanimoto metric | 0.8743 |
|---|---|
| Cosine metric | 0.935 |
| Dice metric | 0.9329 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260208
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Similarity to MM260208
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8476 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM336482
Similarity: 0.7216
Similarity to MM336482
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8383 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
