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DocumentationIdentifier: MM358747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358747 |
| SMILES |
CCC#CC(=O)C(C)CO
|
| InChIKey |
IULSFLOGIBIUMN-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM413632
Similarity: 0.807
Similarity to MM413632
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8932 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358914
Similarity: 0.7797
Similarity to MM358914
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8762 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90477
Similarity: 0.748
Similarity to MM90477
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8558 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
