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DocumentationIdentifier: MM361159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361159 |
| SMILES |
CC=CC=C(F)C#CCO
|
| InChIKey |
HULKTYLVDLQHJS-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159386
Similarity: 0.8817
Similarity to MM159386
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159879
Similarity: 0.7957
Similarity to MM159879
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284482
Similarity: 0.7593
Similarity to MM284482
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8632 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
