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DocumentationIdentifier: MM378522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378522 |
| SMILES |
C#CCN(C=C)C(=N)CF
|
| InChIKey |
ACPIKGYUSHBBSQ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305872
Similarity: 0.6098
Similarity to MM305872
| Tanimoto metric | 0.6098 |
|---|---|
| Cosine metric | 0.7581 |
| Dice metric | 0.7576 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298393
Similarity: 0.6063
Similarity to MM298393
| Tanimoto metric | 0.6063 |
|---|---|
| Cosine metric | 0.7565 |
| Dice metric | 0.7549 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305870
Similarity: 0.5915
Similarity to MM305870
| Tanimoto metric | 0.5915 |
|---|---|
| Cosine metric | 0.7442 |
| Dice metric | 0.7433 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
