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DocumentationIdentifier: MM224740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224740 |
| SMILES |
CC(C#N)OCC(C)(F)F
|
| InChIKey |
MZUVRNSTBLPYIA-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02591
Similarity: 0.7596
Similarity to MM02591
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8634 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40208
Similarity: 0.7449
Similarity to MM40208
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315652
Similarity: 0.6964
Similarity to MM315652
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8211 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
