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DocumentationIdentifier: MM298039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298039 |
| SMILES |
C#CCC(=O)C(O)C(=C)F
|
| InChIKey |
CKNLEAVTUIJXKI-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297486
Similarity: 0.7065
Similarity to MM297486
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.828 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297484
Similarity: 0.6684
Similarity to MM297484
| Tanimoto metric | 0.6684 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.8012 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254051
Similarity: 0.6615
Similarity to MM254051
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7963 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
