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DocumentationIdentifier: MM345603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345603 |
| SMILES |
C=C(C)C#CC(C=O)=CC
|
| InChIKey |
ACVMCWPYKQVEIV-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
MM324088
Similarity: 0.9072
Similarity to MM324088
| 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
|
MM201462
Similarity: 0.8316
Similarity to MM201462
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435509
Similarity: 0.8182
Similarity to MM435509
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.9 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
