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DocumentationIdentifier: MM59875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59875 |
| SMILES |
N#CCN(C=N)CC=CF
|
| InChIKey |
AUASTJKITGRDEJ-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60522
Similarity: 0.7789
Similarity to MM60522
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8757 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388302
Similarity: 0.6607
Similarity to MM388302
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7959 |
| Dice metric | 0.7957 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388192
Similarity: 0.6034
Similarity to MM388192
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7529 |
| Dice metric | 0.7527 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
