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DocumentationIdentifier: MM427955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427955 |
| SMILES |
N#CC(C=O)N1CC1C=O
|
| InChIKey |
OQLQQSPCCOIBIK-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377325
Similarity: 0.8415
Similarity to MM377325
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289213
Similarity: 0.7056
Similarity to MM289213
| Tanimoto metric | 0.7056 |
|---|---|
| Cosine metric | 0.8276 |
| Dice metric | 0.8274 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346038
Similarity: 0.6749
Similarity to MM346038
| Tanimoto metric | 0.6749 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8059 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
