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DocumentationIdentifier: MM90509
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90509 |
| SMILES |
C#CC#CC(=O)C(O)CF
|
| InChIKey |
YAMCMAUTENXBDB-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358755
Similarity: 0.7586
Similarity to MM358755
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8627 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90493
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Similarity to MM90493
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8627 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48369
Similarity: 0.7287
Similarity to MM48369
| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.843 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
