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DocumentationIdentifier: MM135856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135856 |
| SMILES |
N=C(N)CC(=O)C=CF
|
| InChIKey |
JFQYXZYJHOFWFK-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223403
Similarity: 0.8512
Similarity to MM223403
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104643
Similarity: 0.7476
Similarity to MM104643
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8556 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269928
Similarity: 0.6645
Similarity to MM269928
| Tanimoto metric | 0.6645 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.7984 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
