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DocumentationIdentifier: MM306785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306785 |
| SMILES |
C#CC(F)(C#C)C(F)CO
|
| InChIKey |
FPLGOZXFBFVRDS-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137729
Similarity: 0.8561
Similarity to MM137729
| Tanimoto metric | 0.8561 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228875
Similarity: 0.6278
Similarity to MM228875
| Tanimoto metric | 0.6278 |
|---|---|
| Cosine metric | 0.7751 |
| Dice metric | 0.7713 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41519
Similarity: 0.625
Similarity to MM41519
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7711 |
| Dice metric | 0.7692 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
