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DocumentationIdentifier: MM233482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233482 |
| SMILES |
C#CC(=O)C(F)(F)CCO
|
| InChIKey |
LTOSYOJVXVOYPX-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58884
Similarity: 0.6045
Similarity to MM58884
| Tanimoto metric | 0.6045 |
|---|---|
| Cosine metric | 0.7535 |
| Dice metric | 0.7535 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268807
Similarity: 0.5856
Similarity to MM268807
| Tanimoto metric | 0.5856 |
|---|---|
| Cosine metric | 0.7387 |
| Dice metric | 0.7387 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28397
Similarity: 0.5524
Similarity to MM28397
| Tanimoto metric | 0.5524 |
|---|---|
| Cosine metric | 0.7433 |
| Dice metric | 0.7117 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
