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DocumentationIdentifier: MM47521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47521 |
| SMILES |
C=C(F)C(C#N)C(=N)N
|
| InChIKey |
IBVGFZZVRKVHAL-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM390348
Similarity: 0.7514
Similarity to MM390348
| Tanimoto metric | 0.7514 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8581 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244533
Similarity: 0.743
Similarity to MM244533
| Tanimoto metric | 0.743 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390346
Similarity: 0.743
Similarity to MM390346
| Tanimoto metric | 0.743 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
