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DocumentationIdentifier: MM267754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267754 |
| SMILES |
N#CC1NC1C(=O)CF
|
| InChIKey |
YUJXKQDZZZKTJW-UHFFFAOYSA-N
|
| MW [Da] |
128.11
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263172
Similarity: 0.7448
Similarity to MM263172
| Tanimoto metric | 0.7448 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8537 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379871
Similarity: 0.7135
Similarity to MM379871
| Tanimoto metric | 0.7135 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8328 |
| MW: | 110.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266090
Similarity: 0.6737
Similarity to MM266090
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.805 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
