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DocumentationIdentifier: MM403468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403468 |
| SMILES |
O=CC#CC(=O)C1CN1
|
| InChIKey |
UBKBPYZQPVWFEL-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400448
Similarity: 0.8571
Similarity to MM400448
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399147
Similarity: 0.8079
Similarity to MM399147
| Tanimoto metric | 0.8079 |
|---|---|
| Cosine metric | 0.8941 |
| Dice metric | 0.8938 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400394
Similarity: 0.8
Similarity to MM400394
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
