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DocumentationIdentifier: MM234717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234717 |
| SMILES |
COC(C)C(C)(F)C(C)=O
|
| InChIKey |
BSTRXRGWSLFWOP-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40589
Similarity: 0.7005
Similarity to MM40589
| Tanimoto metric | 0.7005 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8239 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243872
Similarity: 0.6971
Similarity to MM243872
| Tanimoto metric | 0.6971 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8215 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137643
Similarity: 0.6396
Similarity to MM137643
| Tanimoto metric | 0.6396 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7802 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
