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DocumentationIdentifier: MM43593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43593 |
| SMILES |
C#CC(F)=CC(=O)NC
|
| InChIKey |
RUHKRLFFXVSBLK-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266874
Similarity: 0.8438
Similarity to MM266874
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM247673
Similarity: 0.8308
Similarity to MM247673
| Tanimoto metric | 0.8308 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266894
Similarity: 0.8244
Similarity to MM266894
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9038 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
