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DocumentationIdentifier: MM378663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378663 |
| SMILES |
C#CC#CC(=O)C1CN1
|
| InChIKey |
UVYWHTDNAAUKEU-UHFFFAOYSA-N
|
| MW [Da] |
119.12
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379061
Similarity: 0.9286
Similarity to MM379061
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400448
Similarity: 0.8392
Similarity to MM400448
| Tanimoto metric | 0.8392 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9125 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400398
Similarity: 0.773
Similarity to MM400398
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
