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DocumentationIdentifier: MM42577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42577 |
| SMILES |
C#CC(F)(CO)C(C)F
|
| InChIKey |
UWLDECBHLGCRLZ-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229835
Similarity: 0.8247
Similarity to MM229835
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9039 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137729
Similarity: 0.6901
Similarity to MM137729
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8167 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111432
Similarity: 0.622
Similarity to MM111432
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7887 |
| Dice metric | 0.767 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
