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DocumentationIdentifier: MM389928
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389928 |
| SMILES |
C=CC#CC(=O)C1CN1
|
| InChIKey |
SIIJOOJCIMDXEK-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
-0.28
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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MM390776
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Similarity to MM390776
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400448
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| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM400396
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Similarity to MM400396
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8707 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
