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DocumentationIdentifier: MM131051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131051 |
| SMILES |
C#CC(C)(O)C(C)(F)F
|
| InChIKey |
YUMFDYXOVVYZLZ-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229869
Similarity: 0.8643
Similarity to MM229869
| Tanimoto metric | 0.8643 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9272 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229838
Similarity: 0.7035
Similarity to MM229838
| Tanimoto metric | 0.7035 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8259 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103302
Similarity: 0.6942
Similarity to MM103302
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8195 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
