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DocumentationIdentifier: MM339320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339320 |
| SMILES |
C#CC(C#C)=CC(=C)OC
|
| InChIKey |
BZJSMUDCDDIRRA-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143783
Similarity: 0.9072
Similarity to MM143783
| Tanimoto metric | 0.9072 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9514 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266897
Similarity: 0.7788
Similarity to MM266897
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8756 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268117
Similarity: 0.7395
Similarity to MM268117
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8502 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
