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DocumentationIdentifier: MM253111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253111 |
| SMILES |
NC(=O)C#CC(F)=CCF
|
| InChIKey |
MRMUWPHDGVNNBQ-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253154
Similarity: 0.7462
Similarity to MM253154
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8546 |
| MW: | 137.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253110
Similarity: 0.7405
Similarity to MM253110
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8509 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253143
Similarity: 0.7185
Similarity to MM253143
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8362 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
