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DocumentationIdentifier: MM400394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400394 |
| SMILES |
CCCC#CC(=O)C1CN1
|
| InChIKey |
SVJJISPPSUHYKP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM399147
Similarity: 0.9568
Similarity to MM399147
| Tanimoto metric | 0.9568 |
|---|---|
| Cosine metric | 0.9782 |
| Dice metric | 0.9779 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300239
Similarity: 0.906
Similarity to MM300239
| Tanimoto metric | 0.906 |
|---|---|
| Cosine metric | 0.9509 |
| Dice metric | 0.9507 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400398
Similarity: 0.875
Similarity to MM400398
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9333 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
