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DocumentationIdentifier: MM180974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180974 |
| SMILES |
CC(O)C(C#N)C(F)F
|
| InChIKey |
XNPYSLHUKNVDRK-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220755
Similarity: 0.8279
Similarity to MM220755
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388283
Similarity: 0.7266
Similarity to MM388283
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.8417 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109025
Similarity: 0.6238
Similarity to MM109025
| Tanimoto metric | 0.6238 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7683 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
