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DocumentationIdentifier: MM137643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137643 |
| SMILES |
COC(C)C(C)(F)C=O
|
| InChIKey |
YQLMHPDXSQWHQK-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319894
Similarity: 0.7368
Similarity to MM319894
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103289
Similarity: 0.6905
Similarity to MM103289
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8169 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306720
Similarity: 0.6597
Similarity to MM306720
| Tanimoto metric | 0.6597 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.795 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
