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DocumentationIdentifier: MM42378
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42378 |
| SMILES |
N#CCC(F)(C=O)C=O
|
| InChIKey |
LUQSPKFSJXEKBU-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28572
Similarity: 0.8333
Similarity to MM28572
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61505
Similarity: 0.6364
Similarity to MM61505
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7795 |
| Dice metric | 0.7778 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320242
Similarity: 0.6269
Similarity to MM320242
| Tanimoto metric | 0.6269 |
|---|---|
| Cosine metric | 0.7917 |
| Dice metric | 0.7706 |
| MW: | 147.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
