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DocumentationIdentifier: MM369626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369626 |
| SMILES |
CC=C(C)C#CC=CC=O
|
| InChIKey |
ZCHXJXCGRXWRJN-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 |
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MM154737
Similarity: 0.8592
Similarity to MM154737
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM159399
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Similarity to MM159399
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.9 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253119
Similarity: 0.8118
Similarity to MM253119
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8961 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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