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DocumentationIdentifier: MM232025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232025 |
| SMILES |
CCOC(C#N)C(F)(F)F
|
| InChIKey |
VHRQVUNZHBKPPQ-UHFFFAOYSA-N
|
| MW [Da] |
153.1
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179717
Similarity: 0.8208
Similarity to MM179717
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392703
Similarity: 0.685
Similarity to MM392703
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8131 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392741
Similarity: 0.6797
Similarity to MM392741
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8093 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
