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DocumentationIdentifier: MM418685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418685 |
| SMILES |
C#CC#CC(=O)C1CN1C
|
| InChIKey |
IMAUWWVLOMTCAX-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196513
Similarity: 0.8808
Similarity to MM196513
| Tanimoto metric | 0.8808 |
|---|---|
| Cosine metric | 0.9385 |
| Dice metric | 0.9366 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM418609
Similarity: 0.7798
Similarity to MM418609
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8763 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378663
Similarity: 0.7409
Similarity to MM378663
| Tanimoto metric | 0.7409 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8512 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
