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DocumentationIdentifier: MM220627
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220627 |
| SMILES |
COC(C)(C)CC(C)(C)F
|
| InChIKey |
YGVAESXTXNBSMF-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130632
Similarity: 0.7931
Similarity to MM130632
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130022
Similarity: 0.7759
Similarity to MM130022
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM129792
Similarity: 0.7241
Similarity to MM129792
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
