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DocumentationIdentifier: MM403133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403133 |
| SMILES |
COCCOC(C#N)CF
|
| InChIKey |
MOJLRSRMRAWSTI-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54250
Similarity: 0.8864
Similarity to MM54250
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326808
Similarity: 0.729
Similarity to MM326808
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8432 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116035
Similarity: 0.7159
Similarity to MM116035
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8344 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
