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DocumentationIdentifier: MM214559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214559 |
| SMILES |
N#CC=COC=CC=O
|
| InChIKey |
MSKOWGJANSAUBC-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126346
Similarity: 0.7308
Similarity to MM126346
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214558
Similarity: 0.7308
Similarity to MM214558
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126347
Similarity: 0.7308
Similarity to MM126347
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
