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DocumentationIdentifier: MM317498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317498 |
| SMILES |
N#CC(O)CNC(=O)CF
|
| InChIKey |
SJYMFHOOSAWRAT-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144445
Similarity: 0.7667
Similarity to MM144445
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317496
Similarity: 0.6619
Similarity to MM317496
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.7965 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316542
Similarity: 0.6458
Similarity to MM316542
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7848 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
