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DocumentationIdentifier: MM226206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226206 |
| SMILES |
CC(C#N)OC(C)(C)CF
|
| InChIKey |
IUKIZRNQLGTQNP-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224207
Similarity: 0.7755
Similarity to MM224207
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8736 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02584
Similarity: 0.7263
Similarity to MM02584
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8415 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79738
Similarity: 0.7071
Similarity to MM79738
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8284 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
