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DocumentationIdentifier: MM227353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227353 |
| SMILES |
CC(=CF)OC(C)(C)C#N
|
| InChIKey |
GXSGYCJPFBBPEP-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
2.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130860
Similarity: 0.7391
Similarity to MM130860
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331306
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Similarity to MM331306
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8479 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM80371
Similarity: 0.6549
Similarity to MM80371
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7915 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
