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DocumentationIdentifier: MM398635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398635 |
| SMILES |
C#CC#CC(=O)CC1CC1
|
| InChIKey |
AAXMJAHMXDXCJU-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194036
Similarity: 0.8716
Similarity to MM194036
| Tanimoto metric | 0.8716 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9314 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398615
Similarity: 0.7364
Similarity to MM398615
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8482 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398613
Similarity: 0.7364
Similarity to MM398613
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8482 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
