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DocumentationIdentifier: MM415349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415349 |
| SMILES |
CC1(C#N)CN1CC(=O)O
|
| InChIKey |
XBDLZQWPCJUQBI-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.33
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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MM288460
Similarity: 0.7391
Similarity to MM288460
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353403
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| Tanimoto metric | 0.7295 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400663
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Similarity to MM400663
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8069 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
