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DocumentationIdentifier: MM365093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365093 |
| SMILES |
C#CC(C=O)N1CC1C=O
|
| InChIKey |
HARQMJIPPYOGJE-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417805
Similarity: 0.7892
Similarity to MM417805
| Tanimoto metric | 0.7892 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8822 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435398
Similarity: 0.738
Similarity to MM435398
| Tanimoto metric | 0.738 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8492 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378389
Similarity: 0.7292
Similarity to MM378389
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8434 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
