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DocumentationIdentifier: MM74850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74850 |
| SMILES |
CN(C)C(=O)C(F)=CC#N
|
| InChIKey |
QEBGPUJFHLXSTI-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51115
Similarity: 0.8248
Similarity to MM51115
| Tanimoto metric | 0.8248 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161473
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Similarity to MM161473
| Tanimoto metric | 0.7956 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM300730
Similarity: 0.6962
Similarity to MM300730
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8209 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
