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DocumentationIdentifier: MM49965
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49965 |
| SMILES |
COC(C)C(F)CCO
|
| InChIKey |
BYULOTKWOAQORX-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111529
Similarity: 0.7742
Similarity to MM111529
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361853
Similarity: 0.5703
Similarity to MM361853
| Tanimoto metric | 0.5703 |
|---|---|
| Cosine metric | 0.7284 |
| Dice metric | 0.7264 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98418
Similarity: 0.5591
Similarity to MM98418
| Tanimoto metric | 0.5591 |
|---|---|
| Cosine metric | 0.7478 |
| Dice metric | 0.7172 |
| MW: | 106.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
