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DocumentationIdentifier: MM324088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM324088 |
| SMILES |
C=C(C#CC(C)=CC)C=O
|
| InChIKey |
GHMAUIMDOGOYDZ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345603
Similarity: 0.9072
Similarity to MM345603
| Tanimoto metric | 0.9072 |
|---|---|
| Cosine metric | 0.9517 |
| Dice metric | 0.9514 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435509
Similarity: 0.7677
Similarity to MM435509
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8686 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170828
Similarity: 0.7556
Similarity to MM170828
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+472 more
