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DocumentationIdentifier: MM231767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231767 |
| SMILES |
CCC#CC(=O)C(C)(F)F
|
| InChIKey |
VXRDVEHOVCDYTG-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132240
Similarity: 0.8667
Similarity to MM132240
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231768
Similarity: 0.7941
Similarity to MM231768
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231793
Similarity: 0.7794
Similarity to MM231793
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.876 |
| MW: | 146.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
