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DocumentationIdentifier: MM355432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355432 |
| SMILES |
C#CC=CC(O)C(F)CO
|
| InChIKey |
XYHLGIJSVIEWSB-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163190
Similarity: 0.7795
Similarity to MM163190
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355119
Similarity: 0.7163
Similarity to MM355119
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8347 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355317
Similarity: 0.6645
Similarity to MM355317
| Tanimoto metric | 0.6645 |
|---|---|
| Cosine metric | 0.7984 |
| Dice metric | 0.7984 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
